Standard Article

3,3′,3α,3α′,4,4′,5,5′-Octahydro-3,3,3′,3′-tetraisopropyl-6,6′-spirobi[6H-cyclopent[c]isoxazole]

  1. Naga K. Modukuru,
  2. Steven J. Collier

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01605

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Modukuru, N. K. and Collier, S. J. 2013. 3,3′,3α,3α′,4,4′,5,5′-Octahydro-3,3,3′,3′-tetraisopropyl-6,6′-spirobi[6H-cyclopent[c]isoxazole]. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. Codexis Laboratories Singapore Pte Ltd, Singapore

Publication History

  1. Published Online: 16 SEP 2013

Chemistry Terms

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Abstract

(chiral ligand for asymmetric Pd-catalyzed reactions)

Alternative Names: tetraisopropylspirobis(isoxazoline); i-Pr-SPRIX.

Physical Data: mp (decomposition) 160 °C; exists in diastereomeric mixtures with the following enantiomers being most often used as ligand source.

original image
original image

Solubility: soluble in CH2Cl2, MeOH, AcOH, toluene, ClCH2CH2Cl, Cl2CHCHCl2, diglyme, and i-Pr2O.

Form Supplied in: white solid.1

Analysis of Reagent Purity: IR, 1H NMR, 13C NMR, CIMS.

Preparative Methods.

(1) Chemical Synthesis: SPRIX ligands are made using a multistep reaction sequence involving double alkylation of diethyl malonate, reduction of the esters to alcohols, reoxidation to give a malondialdehyde, and treatment with hydroxylamine to provide a malondioxime. Subsequent treatment with aqueous NaOCl converts the oximes to nitrile oxides, which undergo a double intramolecular cycloaddition constructing four rings and the spiro backbone in a single step (eq 1).1

original image(1)

(2) Optical Resolution: Enantiomerically pure i-Pr-SPRIX was obtained by optical resolution of racemic i-Pr-SPRIX via formation of a diastereomeric complex with di-µ-chlorobis{(R)-2-[1-(dimethylamino)ethyl]phenyl-C,N}dipalladium(II), followed by fractional crystallization. Decomplexation from palladium using 1,2-bis(diphenylphosphino)ethane gave the optically pure P,R,R enantiomer of i-Pr-SPRIX (eq 2).2

original image(2)

Handling, Storage, and Precautions: unknown.

Featured Compounds

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  1. 1 - 236
Compound Information
Molecular Weight:160.1678
Molecular Formula:C7H12O4
InChIKey:IYXGSMUGOJNHAZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:219.162
Molecular Formula:C10H19Br
InChIKey:XTDPDUOQIOKQHZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:436.6676
Molecular Formula:C27H48O4
InChIKey:USSVKQFHIKICHK-UHFFFAOYSA-N
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Compound Information
Molecular Weight:56.1056
Molecular Formula:HKO
InChIKey:KWYUFKZDYYNOTN-UHFFFAOYSA-M
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Compound Information
Molecular Weight:150.077
Molecular Formula:CHF3O3S
InChIKey:ITMCEJHCFYSIIV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:78.133
Molecular Formula:C2H6OS
InChIKey:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:352.5943
Molecular Formula:C23H44O2
InChIKey:KKFCDKIKOKUBPF-UHFFFAOYSA-N
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Compound Information
Molecular Weight:37.954
Molecular Formula:AlH4Li
InChIKey:OCZDCIYGECBNKL-UHFFFAOYSA-N
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Compound Information
Molecular Weight:72.1057
Molecular Formula:C4H8O
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:378.5918
Molecular Formula:C23H42N2O2
InChIKey:DDMMCMOIKFDZIU-FEZYOMQXSA-N
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Compound Information
Molecular Weight:126.926
Molecular Formula:C2Cl2O2
InChIKey:CTSLXHKWHWQRSH-UHFFFAOYSA-N
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Compound Information
Molecular Weight:101.19
Molecular Formula:C6H15N
InChIKey:ZMANZCXQSJIPKH-UHFFFAOYSA-N
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Compound Information
Molecular Weight:84.933
Molecular Formula:CH2Cl2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Molecular Weight:69.491
Molecular Formula:ClH4NO
InChIKey:WTDHULULXKLSOZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:79.0999
Molecular Formula:C5H5N
InChIKey:Not Available
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Compound Information
Molecular Weight:374.56
Molecular Formula:C23H38N2O2
InChIKey:FKVOVOAGTVLVMG-WFXMLNOXSA-N
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Compound Information
Molecular Weight:374.56
Molecular Formula:C23H38N2O2
InChIKey:FKVOVOAGTVLVMG-UEXGIBASSA-N
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Compound Information
Molecular Weight:374.56
Molecular Formula:C23H38N2O2
InChIKey:FKVOVOAGTVLVMG-OPYAIIAOSA-N
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Compound Information
Molecular Weight:74.442
Molecular Formula:ClNaO
InChIKey:Not Available
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Compound Information
Molecular Weight:374.56
Molecular Formula:C23H38N2O2
InChIKey:FKVOVOAGTVLVMG-UHFFFAOYSA-N
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Compound Information
Molecular Weight:580.2
Molecular Formula:C20H28Cl2N2Pd2
InChIKey:XCTXLCNHZNUSDD-LTITYVEBSA-L
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Compound Information
Molecular Weight:630.21
Molecular Formula:C33H53N3O2Pd
InChIKey:WQBXBXJPGLYPAN-BRWGWVPLSA-N
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Compound Information
Molecular Weight:630.21
Molecular Formula:C33H53N3O2Pd
InChIKey:WQBXBXJPGLYPAN-PUDQIHJASA-N
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Compound Information
Molecular Weight:32.0419
Molecular Formula:CH4O
InChIKey:OKKJLVBELUTLKV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:163.0026
Molecular Formula:F6H3NP
InChIKey:NIZXKAYXSNUDOU-UHFFFAOYSA-O
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Compound Information
Molecular Weight:18.0153
Molecular Formula:H2O
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Molecular Weight:374.56
Molecular Formula:C23H38N2O2
InChIKey:FKVOVOAGTVLVMG-OPYAIIAOSA-N
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Compound Information
Molecular Weight:398.4163
Molecular Formula:C26H24P2
InChIKey:QFMZQPDHXULLKC-UHFFFAOYSA-N
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Compound Information
Molecular Weight:158.238
Molecular Formula:C9H18O2
InChIKey:PTQWOOITGYMSDR-UHFFFAOYSA-N
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Compound Information
Molecular Weight:156.2221
Molecular Formula:C9H16O2
InChIKey:DHQHZQKOKHIEFZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:332.45
Molecular Formula:C4F6O4Pd
InChIKey:PBDBXAQKXCXZCJ-UHFFFAOYSA-L
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Compound Information
Molecular Weight:108.0948
Molecular Formula:C6H4O2
InChIKey:AZQWKYJCGOJGHM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:172.2646
Molecular Formula:C10H20O2
InChIKey:HLZVKCSKPZHWLD-UHFFFAOYSA-N
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Compound Information
Molecular Weight:170.2487
Molecular Formula:C10H18O2
InChIKey:PRNXVWDSPIRGGV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:230.3453
Molecular Formula:C16H22O
InChIKey:GWMVTXXXCDWZQS-SDNWHVSQSA-N
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Compound Information
Molecular Weight:228.3294
Molecular Formula:C16H20O
InChIKey:HCILSAHRTJJNJS-UHFFFAOYSA-N
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Compound Information
Molecular Weight:98.959
Molecular Formula:C2H4Cl2
InChIKey:WSLDOOZREJYCGB-UHFFFAOYSA-N
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Compound Information
Molecular Weight:309.241
Molecular Formula:C16H21BrO
InChIKey:PBNUEAOLMPSCQM-NTUHNPAUSA-N
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Compound Information
Molecular Weight:307.225
Molecular Formula:C16H19BrO
InChIKey:WVQNZLZWTCOGFH-UHFFFAOYSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:260.3713
Molecular Formula:C17H24O2
InChIKey:MABMJUYMGMQGEA-RIYZIHGNSA-N
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Compound Information
Molecular Weight:258.3554
Molecular Formula:C17H22O2
InChIKey:IQMBAJSHMDXVIG-UHFFFAOYSA-N
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Compound Information
Molecular Weight:330.4611
Molecular Formula:C21H30O3
InChIKey:RJVBFLCJMKUXKC-MHWRWJLKSA-N
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Compound Information
Molecular Weight:328.4452
Molecular Formula:C21H28O3
InChIKey:IFXCJKCREGKVLA-UHFFFAOYSA-N
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Compound Information
Molecular Weight:246.3447
Molecular Formula:C16H22O2
InChIKey:ZSCRTFONTNMQBL-NTUHNPAUSA-N
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Compound Information
Molecular Weight:244.3288
Molecular Formula:C16H20O2
InChIKey:CEZCHPFUKBTQGN-MRXNPFEDSA-N
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Compound Information
Molecular Weight:244.3288
Molecular Formula:C16H20O2
InChIKey:CEZCHPFUKBTQGN-INIZCTEOSA-N
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Compound Information
Molecular Weight:248.3606
Molecular Formula:C16H24O2
InChIKey:OIZJROIIEIRRNT-JLHYYAGUSA-N
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Compound Information
Molecular Weight:246.3447
Molecular Formula:C16H22O2
InChIKey:KVUHODMRKKVWIB-UHFFFAOYSA-N
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Compound Information
Molecular Weight:134.1736
Molecular Formula:C6H14O3
InChIKey:SBZXBUIDTXKZTM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:262.3871
Molecular Formula:C17H26O2
InChIKey:KGPICZRJGNEXDM-MDWZMJQESA-N
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Compound Information
Molecular Weight:260.3713
Molecular Formula:C17H24O2
InChIKey:AGTBMUUWURYJFL-UHFFFAOYSA-N
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Compound Information
Molecular Weight:276.4137
Molecular Formula:C18H28O2
InChIKey:PUVTWSOKEBGDTD-NTEUORMPSA-N
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Compound Information
Molecular Weight:274.3978
Molecular Formula:C18H26O2
InChIKey:ZAPFACDCTAQBSN-UHFFFAOYSA-N
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Compound Information
Molecular Weight:222.3233
Molecular Formula:C14H22O2
InChIKey:UDKLZRQAWNEKNW-PKNBQFBNSA-N
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Compound Information
Molecular Weight:220.3074
Molecular Formula:C14H20O2
InChIKey:UQCWCRMLDHEXGX-UHFFFAOYSA-N
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Compound Information
Molecular Weight:208.2967
Molecular Formula:C13H20O2
InChIKey:CEEFJMMQUVSEJD-JXMROGBWSA-N
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Compound Information
Molecular Weight:206.2808
Molecular Formula:C13H18O2
InChIKey:DLVOQYWUSVPEKA-UHFFFAOYSA-N
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Compound Information
Molecular Weight:242.3129
Molecular Formula:C16H18O2
InChIKey:PIBAJENIXKYYQY-ZRDIBKRKSA-N
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Compound Information
Molecular Weight:240.297
Molecular Formula:C16H16O2
InChIKey:XYLFUCSTXZYUML-UHFFFAOYSA-N
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Compound Information
Molecular Weight:194.2701
Molecular Formula:C12H18O2
InChIKey:USFOLTVDXZTTIG-SNAWJCMRSA-N
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Compound Information
Molecular Weight:192.2542
Molecular Formula:C12H16O2
InChIKey:YDDSPZNLOOFQJA-UHFFFAOYSA-N
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Compound Information
Molecular Weight:280.3609
Molecular Formula:C19H20O2
InChIKey:FHSXENMCSZIHHV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:278.345
Molecular Formula:C19H18O2
InChIKey:DRGPPKIEARVIQN-UHFFFAOYSA-N
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Compound Information
Molecular Weight:224.51
Molecular Formula:C4H6O4Pd
InChIKey:YJVFFLUZDVXJQI-UHFFFAOYSA-L
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:156.2221
Molecular Formula:C9H16O2
InChIKey:KZXMRHOGIHXVEI-UHFFFAOYSA-N
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Compound Information
Molecular Weight:154.2063
Molecular Formula:C9H14O2
InChIKey:ZJZZUXCCIHXKMC-UHFFFAOYSA-N
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Compound Information
Molecular Weight:196.286
Molecular Formula:C12H20O2
InChIKey:ZRJIQYSMWLQMBB-UHFFFAOYSA-N
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Compound Information
Molecular Weight:194.2701
Molecular Formula:C12H18O2
InChIKey:UEQOEQIDVBTPCL-UHFFFAOYSA-N
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Compound Information
Molecular Weight:278.345
Molecular Formula:C19H18O2
InChIKey:NQCGWCNYRAGTKW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:276.3291
Molecular Formula:C19H16O2
InChIKey:NHSHRUBLTRTGAZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:128.169
Molecular Formula:C7H12O2
InChIKey:YJJLHGCCADOOPZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:126.1531
Molecular Formula:C7H10O2
InChIKey:PDDNUGGPEBPOIE-UHFFFAOYSA-N
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Compound Information
Molecular Weight:266.3343
Molecular Formula:C18H18O2
InChIKey:HBGYZJQFNQWARS-IHWYPQMZSA-N
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Compound Information
Molecular Weight:264.3184
Molecular Formula:C18H16O2
InChIKey:JVBSASQIKOMBGY-UHFFFAOYSA-N
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Compound Information
Molecular Weight:342.4303
Molecular Formula:C24H22O2
InChIKey:XOJJHHPEOJATQN-HTXNQAPBSA-N
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Compound Information
Molecular Weight:340.4144
Molecular Formula:C24H20O2
InChIKey:OOEUWPGBVCXRMA-UHFFFAOYSA-N
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Compound Information
Molecular Weight:218.2915
Molecular Formula:C14H18O2
InChIKey:FBJUEZDEZPPQMQ-PKNBQFBNSA-N
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Compound Information
Molecular Weight:216.2756
Molecular Formula:C14H16O2
InChIKey:JGLHQIGWFQQQSG-UHFFFAOYSA-N
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Compound Information
Molecular Weight:190.2384
Molecular Formula:C12H14O2
InChIKey:RTGVPIYKBLCGGM-UXBLZVDNSA-N
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Compound Information
Molecular Weight:188.2225
Molecular Formula:C12H12O2
InChIKey:BALMHUIDNDJDDS-UHFFFAOYSA-N
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Compound Information
Molecular Weight:174.1959
Molecular Formula:C11H10O2
InChIKey:DGCCJZRTPKTWIO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:100.1158
Molecular Formula:C5H8O2
InChIKey:UIUWNILCHFBLEQ-NSCUHMNNSA-N
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Compound Information
Molecular Weight:98.0999
Molecular Formula:C5H6O2
InChIKey:BGLUXFNVVSVEET-UHFFFAOYSA-N
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Compound Information
Molecular Weight:114.1424
Molecular Formula:C6H10O2
InChIKey:XXHDAWYDNSXJQM-ONEGZZNKSA-N
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Compound Information
Molecular Weight:112.1265
Molecular Formula:C6H8O2
InChIKey:GOUILHYTHSOMQJ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:128.169
Molecular Formula:C7H12O2
InChIKey:YURNCBVQZBJDAJ-AATRIKPKSA-N
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Compound Information
Molecular Weight:126.1531
Molecular Formula:C7H10O2
InChIKey:CLCLZCBNFSGUOD-UHFFFAOYSA-N
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Compound Information
Molecular Weight:170.2487
Molecular Formula:C10H18O2
InChIKey:CPVUNKGURQKKKX-BQYQJAHWSA-N
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Compound Information
Molecular Weight:168.2328
Molecular Formula:C10H16O2
InChIKey:IOEBTJGVQXONLC-UHFFFAOYSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:128.169
Molecular Formula:C7H12O2
InChIKey:CIBMDQOEVWDTDT-ONEGZZNKSA-N
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Compound Information
Molecular Weight:126.1531
Molecular Formula:C7H10O2
InChIKey:LWFKYUIZWLTJCA-UHFFFAOYSA-N
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Compound Information
Molecular Weight:128.169
Molecular Formula:C7H12O2
InChIKey:XTQLWNAWEPKOLB-SNAWJCMRSA-N
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Compound Information
Molecular Weight:126.1531
Molecular Formula:C7H10O2
InChIKey:UVERQUDHQJYTIT-UHFFFAOYSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:28.0101
Molecular Formula:CO
InChIKey:UGFAIRIUMAVXCW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:444.24
Molecular Formula:C8H12B2F8N4Pd
InChIKey:YWMRPVUMBTVUEX-UHFFFAOYSA-N
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Compound Information
Molecular Weight:310.412
Molecular Formula:C15H22N2O3S
InChIKey:KTRBJJVSRLBUJD-UHFFFAOYSA-N
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Compound Information
Molecular Weight:336.406
Molecular Formula:C16H20N2O4S
InChIKey:YTHKLQBCJNOMTL-GFCCVEGCSA-N
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Compound Information
Molecular Weight:336.406
Molecular Formula:C16H20N2O4S
InChIKey:YTHKLQBCJNOMTL-LBPRGKRZSA-N
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Compound Information
Molecular Weight:296.385
Molecular Formula:C14H20N2O3S
InChIKey:RQCGYZZELISESO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:322.379
Molecular Formula:C15H18N2O4S
InChIKey:DBJJIZALRDTYOF-UHFFFAOYSA-N
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Compound Information
Molecular Weight:330.83
Molecular Formula:C14H19ClN2O3S
InChIKey:GGBBMMZUPBAFQL-UHFFFAOYSA-N
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Compound Information
Molecular Weight:356.824
Molecular Formula:C15H17ClN2O4S
InChIKey:KYAJTJZNAFQJOE-UHFFFAOYSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Molecular Weight:Not Available
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Molecular Weight:Not Available
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Molecular Weight:Not Available
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Molecular Weight:Not Available
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Molecular Weight:Not Available
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Molecular Weight:Not Available
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Molecular Weight:Not Available
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Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:291.3868
Molecular Formula:C20H21NO
InChIKey:HQQNHDQQYKEISX-UHFFFAOYSA-N
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Compound Information
Molecular Weight:289.371
Molecular Formula:C20H19NO
InChIKey:WAWITXWMFHGOCV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:92.1384
Molecular Formula:C7H8
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:167.2481
Molecular Formula:C10H17NO
InChIKey:IYFDQTNJHRIWFO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:165.2322
Molecular Formula:C10H15NO
InChIKey:JBIXBTFPUJSQKQ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:193.2854
Molecular Formula:C12H19NO
InChIKey:WWYBVJYVQTVNGE-UHFFFAOYSA-N
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Compound Information
Molecular Weight:191.2695
Molecular Formula:C12H17NO
InChIKey:NGKIGZJKNFRRQS-UHFFFAOYSA-N
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Compound Information
Molecular Weight:207.3119
Molecular Formula:C13H21NO
InChIKey:NOCQMIUNYHMCDW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:205.2961
Molecular Formula:C13H19NO
InChIKey:SZPPRXDQQLFEOT-UHFFFAOYSA-N
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Compound Information
Molecular Weight:263.3337
Molecular Formula:C18H17NO
InChIKey:XITJFVVIBHSKPV-BUHFOSPRSA-N
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Compound Information
Molecular Weight:261.3178
Molecular Formula:C18H15NO
InChIKey:RHKGGQKNIBWVDN-XNTDXEJSSA-N
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Compound Information
Molecular Weight:297.779
Molecular Formula:C18H16ClNO
InChIKey:PEJBJOLKEPWNIS-OUKQBFOZSA-N
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Compound Information
Molecular Weight:295.763
Molecular Formula:C18H14ClNO
InChIKey:HVHYEIMANSVKLM-ZROIWOOFSA-N
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Compound Information
Molecular Weight:281.3241
Molecular Formula:C18H16FNO
InChIKey:DZORNFXHOLUHMX-JLHYYAGUSA-N
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Compound Information
Molecular Weight:279.3083
Molecular Formula:C18H14FNO
InChIKey:RILIOWLVHLZSAH-ZROIWOOFSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:90.121
Molecular Formula:C4H10O2
InChIKey:XTHFKEDIFFGKHM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:196.1999
Molecular Formula:C10H12O4
InChIKey:IBWSSLACEJZDPW-PLNGDYQASA-N
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Compound Information
Molecular Weight:196.1999
Molecular Formula:C10H12O4
InChIKey:ICPAETLHAGHJKP-WSQKDGNHSA-N
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Compound Information
Molecular Weight:196.1999
Molecular Formula:C10H12O4
InChIKey:ICPAETLHAGHJKP-HWPCKVLBSA-N
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Compound Information
Molecular Weight:60.052
Molecular Formula:C2H4O2
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:258.2693
Molecular Formula:C15H14O4
InChIKey:SNKFCZVRNXAXCS-WAYWQWQTSA-N
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Compound Information
Molecular Weight:258.2693
Molecular Formula:C15H14O4
InChIKey:VUCGCASUZIEHTE-LYZGCBJASA-N
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Compound Information
Molecular Weight:258.2693
Molecular Formula:C15H14O4
InChIKey:VUCGCASUZIEHTE-IVPXEPLCSA-N
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Compound Information
Molecular Weight:224.253
Molecular Formula:C12H16O4
InChIKey:OWRPOWMIKAYDPE-SREVYHEPSA-N
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Compound Information
Molecular Weight:224.253
Molecular Formula:C12H16O4
InChIKey:IHNLRRDBTXGDQA-ZAGORRGESA-N
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Compound Information
Molecular Weight:224.253
Molecular Formula:C12H16O4
InChIKey:IHNLRRDBTXGDQA-BLUPIXKYSA-N
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Compound Information
Molecular Weight:200.2332
Molecular Formula:C13H12O2
InChIKey:RROXZHBMFUGLLX-UHFFFAOYSA-N
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Compound Information
Molecular Weight:216.2326
Molecular Formula:C13H12O3
InChIKey:DKAFRVKNLWMKNZ-CHWSQXEVSA-N
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Compound Information
Molecular Weight:216.2326
Molecular Formula:C13H12O3
InChIKey:DKAFRVKNLWMKNZ-STQMWFEESA-N
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Compound Information
Molecular Weight:707.01
Molecular Formula:C27H38F6N2O6Pd
InChIKey:CWZZWDFRNNHTJU-HTYAIOTESA-L
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Compound Information
Molecular Weight:322.0964
Molecular Formula:C10H11IO4
InChIKey:ZBIKORITPGTTGI-UHFFFAOYSA-N
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Compound Information
Molecular Weight:41.0519
Molecular Formula:C2H3N
InChIKey:WEVYAHXRMPXWCK-UHFFFAOYSA-N
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Compound Information
Molecular Weight:166.217
Molecular Formula:C10H14O2
InChIKey:IZULRCFAJFXVKV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:182.2164
Molecular Formula:C10H14O3
InChIKey:KEDUNQKHSYFIEF-NXEZZACHSA-N
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Compound Information
Molecular Weight:182.2164
Molecular Formula:C10H14O3
InChIKey:KEDUNQKHSYFIEF-UWVGGRQHSA-N
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Compound Information
Molecular Weight:234.678
Molecular Formula:C13H11ClO2
InChIKey:JBXLRLIUEJSHGM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:250.678
Molecular Formula:C13H11ClO3
InChIKey:VPVCELWMKPUSQA-CHWSQXEVSA-N
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Compound Information
Molecular Weight:250.678
Molecular Formula:C13H11ClO3
InChIKey:VPVCELWMKPUSQA-STQMWFEESA-N
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Compound Information
Molecular Weight:230.2592
Molecular Formula:C14H14O3
InChIKey:CLAHTCFVWVKJSV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:246.2586
Molecular Formula:C14H14O4
InChIKey:AIRQCBXHMYUOMZ-ZIAGYGMSSA-N
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Compound Information
Molecular Weight:246.2586
Molecular Formula:C14H14O4
InChIKey:AIRQCBXHMYUOMZ-KBPBESRZSA-N
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Compound Information
Molecular Weight:250.2919
Molecular Formula:C17H14O2
InChIKey:OBBZAIRFVQQSIC-UHFFFAOYSA-N
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Compound Information
Molecular Weight:266.2913
Molecular Formula:C17H14O3
InChIKey:YLIHXVZUMPORSX-IAGOWNOFSA-N
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Compound Information
Molecular Weight:266.2913
Molecular Formula:C17H14O3
InChIKey:YLIHXVZUMPORSX-IRXDYDNUSA-N
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Compound Information
Molecular Weight:214.2598
Molecular Formula:C14H14O2
InChIKey:IPYQSTKCYOWAGY-UHFFFAOYSA-N
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Compound Information
Molecular Weight:230.2592
Molecular Formula:C14H14O3
InChIKey:DEWXVKSWEJHGHX-ZIAGYGMSSA-N
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Compound Information
Molecular Weight:230.2592
Molecular Formula:C14H14O3
InChIKey:DEWXVKSWEJHGHX-KBPBESRZSA-N
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Compound Information
Molecular Weight:306.3551
Molecular Formula:C20H18O3
InChIKey:MPZKYLMSZDNTIW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:322.3545
Molecular Formula:C20H18O4
InChIKey:DIPCGPWYVULIKL-VQTJNVASSA-N
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Compound Information
Molecular Weight:322.3545
Molecular Formula:C20H18O4
InChIKey:DIPCGPWYVULIKL-UXHICEINSA-N
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Compound Information
Molecular Weight:262.3026
Molecular Formula:C18H14O2
InChIKey:WUDZFMWANNEBMQ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:278.302
Molecular Formula:C18H14O3
InChIKey:MIJNAQXENUJRGV-QZTJIDSGSA-N
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Compound Information
Molecular Weight:278.302
Molecular Formula:C18H14O3
InChIKey:MIJNAQXENUJRGV-ROUUACIJSA-N
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Compound Information
Molecular Weight:186.2066
Molecular Formula:C12H10O2
InChIKey:NCWBGABGESKNJK-UHFFFAOYSA-N
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Compound Information
Molecular Weight:202.206
Molecular Formula:C12H10O3
InChIKey:CVBIWUJYZYMTOC-BXKDBHETSA-N
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Compound Information
Molecular Weight:202.206
Molecular Formula:C12H10O3
InChIKey:CVBIWUJYZYMTOC-CABZTGNLSA-N
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Compound Information
Molecular Weight:430.0392
Molecular Formula:C10H5F6IO4
InChIKey:PEZNEXFPRSOYPL-UHFFFAOYSA-N
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Compound Information
Molecular Weight:257.113
Molecular Formula:C12H10Cl2O2
InChIKey:GWHXVNZXXVJVIL-BLUPIXKYSA-N
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Compound Information
Molecular Weight:257.113
Molecular Formula:C12H10Cl2O2
InChIKey:GWHXVNZXXVJVIL-ZAGORRGESA-N
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Compound Information
Molecular Weight:257.113
Molecular Formula:C12H10Cl2O2
InChIKey:GWHXVNZXXVJVIL-ZHACJKMWSA-N
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Compound Information
Molecular Weight:42.394
Molecular Formula:ClLi
InChIKey:KWGKDLIKAYFUFQ-UHFFFAOYSA-M
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Compound Information
Molecular Weight:94.0699
Molecular Formula:CH6N2O3
InChIKey:AQLJVWUFPCUVLO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:200.2332
Molecular Formula:C13H12O2
InChIKey:VJAWMRKQTFKHHM-NSCUHMNNSA-N
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Compound Information
Molecular Weight:271.139
Molecular Formula:C13H12Cl2O2
InChIKey:OXWHXEPIKNNWQP-QXMHVHEDSA-N
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Compound Information
Molecular Weight:220.652
Molecular Formula:C12H9ClO2
InChIKey:LAFNOEOSCHXZAI-UHFFFAOYSA-N
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Compound Information
Molecular Weight:291.558
Molecular Formula:C12H9Cl3O2
InChIKey:XBQHHTHWDHHHIV-KHPPLWFESA-N
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Compound Information
Molecular Weight:200.2332
Molecular Formula:C13H12O2
InChIKey:JOLQCXMGCAMXFD-UHFFFAOYSA-N
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Compound Information
Molecular Weight:271.139
Molecular Formula:C13H12Cl2O2
InChIKey:SJNZYIOTAKQSJP-QXMHVHEDSA-N
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Compound Information
Molecular Weight:216.2326
Molecular Formula:C13H12O3
InChIKey:VNELUTKSMSJMHW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:287.139
Molecular Formula:C13H12Cl2O3
InChIKey:YYICEUUTHWDSCP-QXMHVHEDSA-N
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Compound Information
Molecular Weight:236.2653
Molecular Formula:C16H12O2
InChIKey:KSLRSRWWIILMLL-UHFFFAOYSA-N
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Compound Information
Molecular Weight:307.171
Molecular Formula:C16H12Cl2O2
InChIKey:KDZOCEBCOGTNOG-PFONDFGASA-N
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Compound Information
Molecular Weight:230.2161
Molecular Formula:C13H10O4
InChIKey:BJEFEHXCSRGOGS-UHFFFAOYSA-N
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Compound Information
Molecular Weight:301.122
Molecular Formula:C13H10Cl2O4
InChIKey:YPPAZMMVCJAOPM-QXMHVHEDSA-N
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Compound Information
Molecular Weight:124.1372
Molecular Formula:C7H8O2
InChIKey:VELKDUKZZPGDRB-UHFFFAOYSA-N
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Compound Information
Molecular Weight:195.043
Molecular Formula:C7H8Cl2O2
InChIKey:WRNQVDMIXFYAGT-XQRVVYSFSA-N
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Compound Information
Molecular Weight:271.139
Molecular Formula:C13H12Cl2O2
InChIKey:KPJRCQMNYJMHSY-ZHACJKMWSA-N
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:104.1491
Molecular Formula:C8H8
InChIKey:PPBRXRYQALVLMV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:132.1592
Molecular Formula:C9H8O
InChIKey:Not Available
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Compound Information
Molecular Weight:818.8
Molecular Formula:C31H50B2F8N6O2Pd
InChIKey:HUVUIGNDSNYJQA-XXDWLTHESA-N
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Compound Information
Molecular Weight:118.1757
Molecular Formula:C9H10
InChIKey:JLBJTVDPSNHSKJ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:146.1858
Molecular Formula:C10H10O
InChIKey:Not Available
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Compound Information
Molecular Weight:160.2554
Molecular Formula:C12H16
InChIKey:QEDJMOONZLUIMC-UHFFFAOYSA-N
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Compound Information
Molecular Weight:188.2655
Molecular Formula:C13H16O
InChIKey:Not Available
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Compound Information
Molecular Weight:134.1751
Molecular Formula:C9H10O
InChIKey:UAJRSHJHFRVGMG-UHFFFAOYSA-N
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Compound Information
Molecular Weight:162.1852
Molecular Formula:C10H10O2
InChIKey:Not Available
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Compound Information
Molecular Weight:162.1852
Molecular Formula:C10H10O2
InChIKey:CCRCUPLGCSFEDV-BQYQJAHWSA-N
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Compound Information
Molecular Weight:194.2271
Molecular Formula:C11H14O3
InChIKey:KGPCYWGHIZJCBO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:222.2372
Molecular Formula:C12H14O4
InChIKey:CGVIBFZHFCVINR-UHFFFAOYSA-N
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Compound Information
Molecular Weight:110.1106
Molecular Formula:C6H6O2
InChIKey:QIGBRXMKCJKVMJ-UHFFFAOYSA-N
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