Standard Article

Benzenecarboperoxoic acid, 1, 1-dimethylethyl Ester

  1. Alakesh B.1,
  2. Vishnumaya B.1,
  3. Vinod K. Singh2

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01616

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Alakesh, B., Vishnumaya, B. and Singh, V. K. 2013. Benzenecarboperoxoic acid, 1, 1-dimethylethyl Ester. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    Indian Institute of Science Education and Research, Bhopal, MP, India

  2. 2

    Indian Institute of Technology, Kanpur, UP, India

Publication History

  1. Published Online: 16 SEP 2013

Chemistry Terms

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Abstract

Alternate Names:tert-butylperbenzoate; tert-butyl benzoperoxoate; tert-butyl peroxybenzoate; Luperox P; Trigonox C.

Physical Data: Slightly yellow colored liquid, Boiling point (range): 75–76 °C 0.2 mmHg; Vapor pressure: 3.36 mmHg 50 °C; Vapor Density 6.7 g/l; Density 1.034 g/cm3; Refractive Index 1.496.

Solubility: Soluble in various organic solvents such as ethers, ethyl acetate, chlorinated hydrocarbons, aromatic hydrocarbons.

Preparative Method: ethyl chloroformate (0.4 mL, 5 mmol) was added dropwise to a solution of benzoic acid (or substituted benzoic acid) (5 mmol) and triethylamine (0.7 mL, 5 mmol) in CH2Cl2 (15 mL) at 0 °C under N2 atmosphere. After stirring the reaction mixture for 30 min, triethylamine (0.7 mL, 5 mmol) was again added. Then, tert-butyl hydroperoxide (5–6 M in nonane, 1.1 mL, 6 mmol) was added dropwise to the solution while maintaining the reaction temperature at 0 °C. The reaction was warmed to room temperature and then stirred for 12 h. It was diluted with CH2Cl2 and washed with aqueous NaHCO3, water, and brine. The organic layer was dried (anhyd. Na2SO4) and the solvent was evaporated on a rotary evaporator to get a crude yellow liquid, which was purified over silica gel by column chromatography (65–85% yield).1a Caution! Peroxy compounds present a serious detonation hazard. While peresters are not nearly as reactive as peracids, use of a Teflon-coated spatula for solid material is recommended.

Purification: after purification by column chromatography using EtOAc and petroleum ether the perester can be obtained as a colorless liquid at room temperature and atmospheric pressure under N2.

Handling, Storage, and Precautions:benzenecarboperoxoic acid, 1,1-dimethylethyl ester 1 is slightly yellow color liquid and an oxidizing agent and reacts with electron-rich species easily. Store this reagent at 2–8 °C to prevent decomposition. Consult the MSDS (Material Safety Data Sheet) before using.

It is advisable to keep this material away from combustible materials, heat, sparks, and open flames. Use only in a chemical hood, remove and wash contaminated clothing thoroughly after handling this reagent. Contact with combustible material may cause fire. This reagent emits toxic fumes when combusted. Harmful if swallowed. Irritating to eyes, respiratory system, and skin. Store under N2 to prevent decomposition to benzoic acid.

The material is pyrophoric (autoignition) in nature. Users are encouraged to wear self-contained breathing apparatus, heavy rubber gloves, and protective clothing to prevent contact with skin and eyes. If swallowed, wash mouth with water provided the individual is conscious. If inhaled, remove person to fresh air. In case of contact with skin and eyes, flush with copious amounts of water for at least 15 min. Assure adequate flushing by separating the eyelids with fingers. Consult a physician.

Featured Compounds

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Compound Information
Molecular Weight:194.2271
Molecular Formula:C11H14O3
InChIKey:GJBRNHKUVLOCEB-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
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:73.1137
Molecular Formula:C4H9O
InChIKey:DKGAVHZHDRPRBM-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
Molecular Formula:Not Available
InChIKey: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:561.235
Molecular Formula:C30H45CuN2O4
InChIKey:KLXMEBWBMQTCFD-BEOOHURISA-M
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Compound Information
Molecular Weight:202.2491
Molecular Formula:C13H14O2
InChIKey:APZIYLKXAJJSIZ-GFCCVEGCSA-N
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Compound Information
Molecular Weight:202.2491
Molecular Formula:C13H14O2
InChIKey:APZIYLKXAJJSIZ-LBPRGKRZSA-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:82.1436
Molecular Formula:C6H10
InChIKey:HGCIXCUEYOPUTN-UHFFFAOYSA-N
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Compound Information
Molecular Weight:202.2491
Molecular Formula:C13H14O2
InChIKey:APZIYLKXAJJSIZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:143.45
Molecular Formula:BrCu
InChIKey:NKNDPYCGAZPOFS-UHFFFAOYSA-M
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Compound Information
Molecular Weight:78.1118
Molecular Formula:C6H6
InChIKey:UHOVQNZJYSORNB-UHFFFAOYSA-N
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Compound Information
Molecular Weight:84.1595
Molecular Formula:C6H12
InChIKey:LIKMAJRDDDTEIG-UHFFFAOYSA-N
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Compound Information
Molecular Weight:204.2649
Molecular Formula:C13H16O2
InChIKey:PWEVLLZPVANVOL-UHFFFAOYSA-N
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Compound Information
Molecular Weight:204.2649
Molecular Formula:C13H16O2
InChIKey:IRWNFSMZBFIURE-XBXARRHUSA-N
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Compound Information
Molecular Weight:70.1329
Molecular Formula:C5H10
InChIKey:QMMOXUPEWRXHJS-HWKANZROSA-N
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Compound Information
Molecular Weight:190.2384
Molecular Formula:C12H14O2
InChIKey:JIOBIAWUJGIJKY-XVNBXDOJSA-N
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Compound Information
Molecular Weight:98.999
Molecular Formula:ClCu
InChIKey:OXBLHERUFWYNTN-UHFFFAOYSA-M
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Compound Information
Molecular Weight:70.1329
Molecular Formula:C5H10
InChIKey:Not Available
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Compound Information
Molecular Weight:190.2384
Molecular Formula:C12H14O2
InChIKey:QDWZSKYMUBIRDQ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:84.1595
Molecular Formula:C6H12
InChIKey:Not Available
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Compound Information
Molecular Weight:204.2649
Molecular Formula:C13H16O2
InChIKey:IVKVIFJKMKKAEP-UHFFFAOYSA-N
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Compound Information
Molecular Weight:112.2126
Molecular Formula:C8H16
InChIKey:FXNDIJDIPNCZQJ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:232.3181
Molecular Formula:C15H20O2
InChIKey:OKKREYXZHIUVMM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:68.117
Molecular Formula:C5H8
InChIKey:LPIQUOYDBNQMRZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:188.2225
Molecular Formula:C12H12O2
InChIKey:BTLKCQKGDWHFJF-UHFFFAOYSA-N
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Compound Information
Molecular Weight:96.1702
Molecular Formula:C7H12
InChIKey:Not Available
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Compound Information
Molecular Weight:216.2756
Molecular Formula:C14H16O2
InChIKey:SAPITEXLTPVWLM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:108.1809
Molecular Formula:C8H12
InChIKey:Not Available
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Compound Information
Molecular Weight:228.2863
Molecular Formula:C15H16O2
InChIKey:VHPVLYKATRTBJC-XJHCEOHRSA-N
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Compound Information
Molecular Weight:228.2863
Molecular Formula:C15H16O2
InChIKey:ZSIPOWLOZLQOOC-NWABZXTGSA-N
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Compound Information
Molecular Weight:119.1836
Molecular Formula:C9H12
InChIKey:NCCMLVRJQAWFKV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:122.1213
Molecular Formula:C7H6O2
InChIKey:WPYMKLBDIGXBTP-UHFFFAOYSA-N
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Compound Information
Molecular Weight:240.297
Molecular Formula:C16H16O2
InChIKey:NXJDJWDGNKYULY-UHFFFAOYSA-N
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Compound Information
Molecular Weight:90.121
Molecular Formula:C4H10O2
InChIKey:CIHOLLKRGTVIJN-UHFFFAOYSA-N
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Compound Information
Molecular Weight:74.1216
Molecular Formula:C4H10O
InChIKey:RTZKZFJDLAIYFH-UHFFFAOYSA-N
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Compound Information
Molecular Weight:194.2271
Molecular Formula:C11H14O3
InChIKey:KPMGSUJBXVLXSQ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:114.1855
Molecular Formula:C7H14O
InChIKey:FHVRTMVXBVDWCK-UHFFFAOYSA-N
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Compound Information
Molecular Weight:234.2909
Molecular Formula:C14H18O3
InChIKey:GMHFGLKYAVFYSY-UHFFFAOYSA-N
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Compound Information
Molecular Weight:89.179
Molecular Formula:C4H8S
InChIKey:RAOIDOHSFRTOEL-UHFFFAOYSA-O
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Compound Information
Molecular Weight:208.277
Molecular Formula:C11H12O2S
InChIKey:GFQZMGVKSGNWGT-UHFFFAOYSA-N
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Compound Information
Molecular Weight:56.1063
Molecular Formula:C4H8
InChIKey:VXNZUUAINFGPBY-UHFFFAOYSA-N
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Compound Information
Molecular Weight:176.2118
Molecular Formula:C11H12O2
InChIKey:ZNWBXXLWBPWQAT-UHFFFAOYSA-N
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Compound Information
Molecular Weight:176.2118
Molecular Formula:C11H12O2
InChIKey:QYOVCBKZFRCMCG-NSCUHMNNSA-N
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Compound Information
Molecular Weight:56.1063
Molecular Formula:C4H8
InChIKey:IAQRGUVFOMOMEM-ONEGZZNKSA-N
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Compound Information
Molecular Weight:56.1063
Molecular Formula:C4H8
InChIKey:Not Available
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Compound Information
Molecular Weight:188.2225
Molecular Formula:C12H12O2
InChIKey:BTLKCQKGDWHFJF-LLVKDONJSA-N
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Compound Information
Molecular Weight:188.2225
Molecular Formula:C12H12O2
InChIKey:BTLKCQKGDWHFJF-NSHDSACASA-N
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Compound Information
Molecular Weight:143.091
Molecular Formula:Cu2O
InChIKey:KRFJLUBVMFXRPN-UHFFFAOYSA-N
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Compound Information
Molecular Weight:115.1305
Molecular Formula:C5H9NO2
InChIKey:ONIBWKKTOPOVIA-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:73.0706
Molecular Formula:C3H6O2
InChIKey:XBDQKXXYIPTUBI-UHFFFAOYSA-M
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Compound Information
Molecular Weight:154.2063
Molecular Formula:C9H14O2
InChIKey:SVOZXRBLMBPIKG-MRVPVSSYSA-N
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Compound Information
Molecular Weight:154.2063
Molecular Formula:C9H14O2
InChIKey:SVOZXRBLMBPIKG-QMMMGPOBSA-N
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Compound Information
Molecular Weight:181.634
Molecular Formula:C4H6CuO4
InChIKey:OPQARKPSCNTWTJ-UHFFFAOYSA-L
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Compound Information
Molecular Weight:416.6015
Molecular Formula:C27H36N4
InChIKey:UVKUNHWZJJONSI-KRUAXBISSA-N
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Compound Information
Molecular Weight:212.615
Molecular Formula:CHCuF3O3S
InChIKey:YNYHGRUPNQLZHB-UHFFFAOYSA-M
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Compound Information
Molecular Weight:484.634
Molecular Formula:C33H32N4
InChIKey:ZLKJEWCGBXNEOM-PQOATNICSA-N
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Compound Information
Molecular Weight:58.0791
Molecular Formula:C3H6O
InChIKey:CSCPPACGZOOCGX-UHFFFAOYSA-N
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Compound Information
Molecular Weight:96.1702
Molecular Formula:C7H12
InChIKey:CTMHWPIWNRWQEG-UHFFFAOYSA-N
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Compound Information
Molecular Weight:216.2756
Molecular Formula:C14H16O2
InChIKey:AOBPWLYHROKUIS-UHFFFAOYSA-N
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Compound Information
Molecular Weight:216.2756
Molecular Formula:C14H16O2
InChIKey:OJUHJLGYRITBLQ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:216.2756
Molecular Formula:C14H16O2
InChIKey:UVLFMXNNSMGUBY-UHFFFAOYSA-N
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Compound Information
Molecular Weight:361.684
Molecular Formula:C2H2CuF6O6S2
InChIKey:Not Available
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Compound Information
Molecular Weight:266.3791
Molecular Formula:C15H26N2O2
InChIKey:Not Available
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Compound Information
Molecular Weight:294.4323
Molecular Formula:C17H30N2O2
InChIKey:DPMGLJUMNRDNMX-VXGBXAGGSA-N
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Compound Information
Molecular Weight:450.656
Molecular Formula:C29H42N2O2
InChIKey:HPJKYBLONLIWSX-YTZPVPEGSA-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
Molecular Formula:Not Available
InChIKey:Not Available
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Molecular Weight:Not Available
Molecular Formula: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:108.1411
Molecular Formula:C6H8N2
InChIKey:HKOOXMFOFWEVGF-UHFFFAOYSA-N
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Compound Information
Molecular Weight:967.451
Molecular Formula:C43H39CuF6N3O8S2
InChIKey:BLJNZZXLMVBUTM-JAYVDDSVSA-L
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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
Molecular Formula:Not Available
InChIKey:Not Available
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Compound Information
Molecular Weight:63.546
Molecular Formula:Cu
InChIKey:RYGMFSIKBFXOCR-UHFFFAOYSA-N
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Compound Information
Molecular Weight:141.1677
Molecular Formula:C7H11NO2
InChIKey:BMVVXSIHLQYXJJ-YRZWDFBDSA-N
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Compound Information
Molecular Weight:206.2808
Molecular Formula:C13H18O2
InChIKey:UYCMVXJNHUSDSB-ZYQGQYISSA-N
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Compound Information
Molecular Weight:326.3863
Molecular Formula:C20H22O4
InChIKey:WRLJKJITPKWEDX-QZFSLIMTSA-N
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Compound Information
Molecular Weight:326.3863
Molecular Formula:C20H22O4
InChIKey:WRLJKJITPKWEDX-IPJSLAPYSA-N
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Compound Information
Molecular Weight:326.3863
Molecular Formula:C20H22O4
InChIKey:YPJFWCYWSHANCT-JNPGCMDYSA-N
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Compound Information
Molecular Weight:326.3863
Molecular Formula:C20H22O4
InChIKey:YPJFWCYWSHANCT-YYXZMQKJSA-N
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Compound Information
Molecular Weight:326.3863
Molecular Formula:C20H22O4
InChIKey:DLBOHLFXBCJSKW-OJQZUBLXSA-N
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Compound Information
Molecular Weight:326.3863
Molecular Formula:C20H22O4
InChIKey:DLBOHLFXBCJSKW-WMVAYQGLSA-N
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Compound Information
Molecular Weight:945.358
Molecular Formula:C36H37CuF6N3O12S2
InChIKey:OXEYYQBPFYSLCH-MGYKIHCZSA-L
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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:729.135
Molecular Formula:C31H32CuF6N6O2P
InChIKey:XCQIISNGMKRYTO-SSBJFLAJSA-N
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Compound Information
Molecular Weight:82.1436
Molecular Formula:C6H10
InChIKey:CGHIBGNXEGJPQZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:202.2491
Molecular Formula:C13H14O2
InChIKey:NTUMMFVEZIAVIM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:639.097
Molecular Formula:C23H38CuF6N6O2P
InChIKey:KAZQQLABGZRCBS-QJBCJRCVSA-N
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Compound Information
Molecular Weight:707.129
Molecular Formula:C29H34CuF6N6O2P
InChIKey:IBHMQTMNYKRADM-NCGJDELYSA-N
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Compound Information
Molecular Weight:158.2396
Molecular Formula:C12H14
InChIKey:Not Available
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Compound Information
Molecular Weight:278.345
Molecular Formula:C19H18O2
InChIKey:YMYWORPIJHLIKW-UHFFFAOYSA-N
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Compound Information
Molecular Weight:108.1809
Molecular Formula:C8H12
InChIKey:YEHSTKKZWWSIMD-JGVFFNPUSA-N
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Compound Information
Molecular Weight:228.2863
Molecular Formula:C15H16O2
InChIKey:KWIPPIFZCSLIBZ-MRVWCRGKSA-N
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Compound Information
Molecular Weight:228.2863
Molecular Formula:C15H16O2
InChIKey:KWIPPIFZCSLIBZ-BNOWGMLFSA-N
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Compound Information
Molecular Weight:537.947
Molecular Formula:C19H27CuF6N3O2P
InChIKey:GUJDPXIPDULVQQ-FXUMYAARSA-N
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Compound Information
Molecular Weight:243.301
Molecular Formula:C15H17NO2
InChIKey:KJTCYRCVUSYAPN-CQSZACIVSA-N
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Compound Information
Molecular Weight:243.301
Molecular Formula:C15H17NO2
InChIKey:KJTCYRCVUSYAPN-AWEZNQCLSA-N
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Compound Information
Molecular Weight:821.234
Molecular Formula:C36H36CuF6N8O2P
InChIKey:DWCSBMXARDHRJS-XEGWPCKISA-N
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Compound Information
Molecular Weight:829.218
Molecular Formula:C32H36CuF6N12O2P
InChIKey:ZGYDIHSHYNXRDD-YNZOJIFYSA-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:74.1216
Molecular Formula:C4H10O
InChIKey:DKGAVHZHDRPRBM-UHFFFAOYSA-N
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Compound Information
Molecular Weight:81.1357
Molecular Formula:C6H9
InChIKey:XDTMQSROBMDMFD-UHFFFAOYSA-N
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Compound Information
Molecular Weight:243.301
Molecular Formula:C15H17NO2
InChIKey:ITNDMPXMHBFBFM-QXPQOBGOSA-N
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Compound Information
Molecular Weight:706.177
Molecular Formula:C26H28CuF6N2O6S2
InChIKey:YZCANGYQCKWYQH-QAPCCAAJSA-L
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Compound Information
Molecular Weight:732.214
Molecular Formula:C28H30CuF6N2O6S2
InChIKey:LRUCEBCBOHQIIJ-FGOMORKPSA-L
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Compound Information
Molecular Weight:826.281
Molecular Formula:C30H36CuF6N2O10S2
InChIKey:FZPLXZRSFIFKMQ-KDZLGPODSA-L
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Compound Information
Molecular Weight:854.334
Molecular Formula:C32H40CuF6N2O10S2
InChIKey:GLASMQJHAZWNRR-XWYWEEBRSA-L
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Compound Information
Molecular Weight:460.6508
Molecular Formula:C30H40N2O2
InChIKey:YAPXKTJLEZCTON-MUVIMXQCSA-N
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Compound Information
Molecular Weight:673.266
Molecular Formula:C31H40CuF3N2O5S
InChIKey:YYDALUFHZSVSBO-SCWMBWQASA-M
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Compound Information
Molecular Weight:96.1271
Molecular Formula:C6H8O
InChIKey:QLQSJLSVPZCPPZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:216.2326
Molecular Formula:C13H12O3
InChIKey:PAHKEPQBPOLRRW-SRVKXCTJSA-N
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Compound Information
Molecular Weight:216.2326
Molecular Formula:C13H12O3
InChIKey:PAHKEPQBPOLRRW-IJLUTSLNSA-N
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Compound Information
Molecular Weight:216.2326
Molecular Formula:C13H12O3
InChIKey:PAHKEPQBPOLRRW-GRYCIOLGSA-N
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Compound Information
Molecular Weight:372.718
Molecular Formula:C8H12CuF6N4P
InChIKey:GNQXUMGHBSAQBV-UHFFFAOYSA-N
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Compound Information
Molecular Weight:254.37
Molecular Formula:C17H22N2
InChIKey:HHCLIIIYKZRJST-HTMJNSLASA-N
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Compound Information
Molecular Weight:627.037
Molecular Formula:C19H19CuF6N3O6S2
InChIKey:LARHRJAUFZZKNY-SQWZUNHGSA-L
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Compound Information
Molecular Weight:486.6035
Molecular Formula:C33H30N2O2
InChIKey:ZWWGNCSTEMMQOQ-SKKKGAJSSA-N
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Compound Information
Molecular Weight:486.6035
Molecular Formula:C33H30N2O2
InChIKey:ZWWGNCSTEMMQOQ-XAZDILKDSA-N
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Compound Information
Molecular Weight:374.5137
Molecular Formula:C23H34O4
InChIKey:QXKRUGDXPWHXHL-TUZCCZGHSA-N
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Compound Information
Molecular Weight:494.6191
Molecular Formula:C30H38O6
InChIKey:XZIJYJWVSVSFJS-XQXPGICWSA-N
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Compound Information
Molecular Weight:223.354
Molecular Formula:Br2Cu
InChIKey:QTMDXZNDVAMKGV-UHFFFAOYSA-L
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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:538.6781
Molecular Formula:C37H34N2O2
InChIKey:WEDVZYDCWKSPHM-KLCUDZNTSA-N
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Compound Information
Molecular Weight:904.465
Molecular Formula:C32H30CuF6N4O6S5
InChIKey:WKNCBHFMIWEYJW-ZKBHHQODSA-L
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Compound Information
Molecular Weight:942.446
Molecular Formula:C34H48CuF6N6O10S2
InChIKey:DRJNVMZAWUVBEP-MVLUVHAUSA-L
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Compound Information
Molecular Weight:198.3019
Molecular Formula:C12H22O2
InChIKey:GLXBMQSZFJTXBC-BQYQJAHWSA-N
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Compound Information
Molecular Weight:318.4073
Molecular Formula:C19H26O4
InChIKey:DRIJUOIAKIHCJZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:168.2328
Molecular Formula:C10H16O2
InChIKey:XLOPRKKSAJMMEW-SFYZADRCSA-N
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Compound Information
Molecular Weight:318.4073
Molecular Formula:C19H26O4
InChIKey:PKCQWLDTJMXRMN-OUKQBFOZSA-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:112.557
Molecular Formula:C6H5Cl
InChIKey:MVPPADPHJFYWMZ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:39.9971
Molecular Formula:HNaO
InChIKey:HEMHJVSKTPXQMS-UHFFFAOYSA-M
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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:72.1057
Molecular Formula:C4H8O
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Molecular Weight:264.2738
Molecular Formula:C14H16O5
InChIKey:KTLZBZAZFHLSIC-LBPRGKRZSA-N
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Compound Information
Molecular Weight:84.0066
Molecular Formula:CHNaO3
InChIKey:UIIMBOGNXHQVGW-UHFFFAOYSA-M
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Compound Information
Molecular Weight:102.0886
Molecular Formula:C4H6O3
InChIKey:Not Available
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Compound Information
Molecular Weight:79.0999
Molecular Formula:C5H5N
InChIKey:Not Available
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Compound Information
Molecular Weight:336.4657
Molecular Formula:C20H32O4
InChIKey:VNYSSYRCGWBHLG-AMOLWHMGSA-N
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Compound Information
Molecular Weight:185.565
Molecular Formula:C7H4ClNO3
InChIKey:SKDHHIUENRGTHK-UHFFFAOYSA-N
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Compound Information
Molecular Weight:261.2301
Molecular Formula:C13H11NO5
InChIKey:FTYXFHAEEVDLTN-SRVKXCTJSA-N
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Compound Information
Molecular Weight:54.0237
Molecular Formula:CH3NaO
InChIKey:WQDUMFSSJAZKTM-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:142.1971
Molecular Formula:C11H10
InChIKey:IEGYXSAHRKJELM-DTORHVGOSA-N
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Compound Information
Molecular Weight:214.3028
Molecular Formula:C15H18O
InChIKey:CXHOQFRACNYCIV-PBWFPOADSA-N
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Compound Information
Molecular Weight:158.1965
Molecular Formula:C11H10O
InChIKey:QKVDCXPAIYICFT-ZACCUICWSA-N
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Compound Information
Molecular Weight:98.078
Molecular Formula:H2O4S
InChIKey:QAOWNCQODCNURD-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:325.084
Molecular Formula:C4H6BrCu2O4
InChIKey:YCBDFPZMZNMUTD-UHFFFAOYSA-K
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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:195.3012
Molecular Formula:C12H21NO
InChIKey:PVHBKRLLXICSCY-UHFFFAOYSA-N
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Compound Information
Molecular Weight:267.407
Molecular Formula:C16H29NO2
InChIKey:VHVBOKOPRONTAU-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:253.3373
Molecular Formula:C14H23NO3
InChIKey:DQSOGSJGANEJCA-UHFFFAOYSA-N
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Compound Information
Molecular Weight:132.1577
Molecular Formula:C6H12O3
InChIKey:SWAXTRYEYUTSAP-UHFFFAOYSA-N
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Compound Information
Molecular Weight:130.1418
Molecular Formula:C6H10O3
InChIKey:WYVAMUWZEOHJOQ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:267.3639
Molecular Formula:C15H25NO3
InChIKey:KTISRJGLGYGCER-UHFFFAOYSA-N
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Compound Information
Molecular Weight:118.1757
Molecular Formula:C9H10
InChIKey:PQNFLJBBNBOBRQ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:157.19
Molecular Formula:C6H7NO2S
InChIKey:Not Available
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Compound Information
Molecular Weight:273.35
Molecular Formula:C15H15NO2S
InChIKey:GMTRSCQWVMLMPJ-UHFFFAOYSA-N
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Compound Information
Molecular Weight:180.2053
Molecular Formula:C12H8N2
InChIKey:DGEZNRSVGBDHLK-UHFFFAOYSA-N
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