Standard Article

NMR and IR Spectroscopy of Phenols

Phenols (2003)

  1. Poul Erik Hansen,
  2. Jens Spanget-Larsen

Published Online: 15 DEC 2009

DOI: 10.1002/9780470682531.pat0281

Patai's Chemistry of Functional Groups

Patai's Chemistry of Functional Groups

How to Cite

Hansen, P. E. and Spanget-Larsen, J. 2009. NMR and IR Spectroscopy of Phenols. Patai's Chemistry of Functional Groups. .

Author Information

  1. Roskilde University, Department of Life Sciences and Chemistry, Roskilde, Denmark

Publication History

  1. Published Online: 15 DEC 2009

Abstract

  • 1
    Introduction
  • 2
    NMR
  • 3
    IR
  • 4
    Acknowledgements

Keywords:

  • NMR and IR spectroscopy of phenols;
  • deuterium isotope effects on chemical shifts;
  • resonance-assisted hydrogen bonding (RAHB);
  • multiple hydrogen bonding to same acceptor;
  • steric effects in phenols;
  • phenolic proton with acidic properties;
  • tautomerism in phenols for Schiff bases;
  • Mannich bases and IR and NMR techniques

Featured Compounds

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  1. 1 - 80
Compound 52
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 1
Molecular Weight:136.1479
Molecular Formula:C8H8O2
InChIKey:JECYUBVRTQDVAT-UHFFFAOYSA-N
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Compound 2
Molecular Weight:194.184
Molecular Formula:C10H10O4
InChIKey:AONRSNZGOMBWPX-UHFFFAOYSA-N
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Compound 3
Molecular Weight:210.1834
Molecular Formula:C10H10O5
InChIKey:PIFFQYJYNWXNGE-UHFFFAOYSA-N
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Compound 4
Molecular Weight:252.2201
Molecular Formula:C12H12O6
InChIKey:YOQHLDOEJYEQRA-UHFFFAOYSA-N
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Compound 5
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 6
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 7
Molecular Weight:218.25
Molecular Formula:C16H10O
InChIKey:BIJNHUAPTJVVNQ-UHFFFAOYSA-N
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Compound 8
Molecular Weight:218.25
Molecular Formula:C16H10O
InChIKey:NKFFJDXMGAZKEQ-UHFFFAOYSA-N
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Compound 9
Molecular Weight:110.1106
Molecular Formula:C6H6O2
InChIKey:Not Available
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Compound 10
Molecular Weight:126.11
Molecular Formula:C6H6O3
InChIKey:Not Available
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Compound 11
Molecular Weight:170.1195
Molecular Formula:C7H6O5
InChIKey:LNTHITQWFMADLM-UHFFFAOYSA-N
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Compound 12
Molecular Weight:94.1112
Molecular Formula:C6H6O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound 13
Molecular Weight:124.1372
Molecular Formula:C7H8O2
InChIKey:NWVVVBRKAWDGAB-UHFFFAOYSA-N
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Compound 14
Molecular Weight:139.1088
Molecular Formula:C6H5NO3
InChIKey:BTJIUGUIPKRLHP-UHFFFAOYSA-N
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Compound 15
Molecular Weight:122.1213
Molecular Formula:C7H6O2
InChIKey:Not Available
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Compound 69
Molecular Weight:139.1088
Molecular Formula:C6H5NO3
InChIKey:IQUPABOKLQSFBK-UHFFFAOYSA-N
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Compound 16
Molecular Weight:136.1479
Molecular Formula:C8H8O2
InChIKey:JECYUBVRTQDVAT-UHFFFAOYSA-N
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Compound 19
Molecular Weight:124.1372
Molecular Formula:C7H8O2
InChIKey:LHGVFZTZFXWLCP-UHFFFAOYSA-N
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Compound 17
Molecular Weight:110.1106
Molecular Formula:C6H6O2
InChIKey:QIGBRXMKCJKVMJ-UHFFFAOYSA-N
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Compound 18
Molecular Weight:110.1106
Molecular Formula:C6H6O2
InChIKey:YCIMNLLNPGFGHC-UHFFFAOYSA-N
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Compound 36
Molecular Weight:214.2167
Molecular Formula:C13H10O3
InChIKey:YIYBRXKMQFDHSM-UHFFFAOYSA-N
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Compound 20
Molecular Weight:182.1733
Molecular Formula:C9H10O4
InChIKey:GKSGTWUNURZTKD-UHFFFAOYSA-N
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Compound 21
Molecular Weight:197.1879
Molecular Formula:C9H11NO4
InChIKey:CMCZAWPDHHYFPU-UHFFFAOYSA-N
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Compound 22
Molecular Weight:197.1879
Molecular Formula:C9H11NO4
InChIKey:WQPWRTUPFHAREU-UHFFFAOYSA-N
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Compound 24
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 23
Molecular Weight:226.143
Molecular Formula:C8H6N2O6
InChIKey:ZLYZQGCSKGCVAL-UHFFFAOYSA-N
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Compound 25
Molecular Weight:518.5544
Molecular Formula:C30H30O8
InChIKey:QBKSWRVVCFFDOT-UHFFFAOYSA-N
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Compound 26
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 27
Molecular Weight:504.4432
Molecular Formula:C30H16O8
InChIKey:BTXNYTINYBABQR-UHFFFAOYSA-N
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Compound 28A
Molecular Weight:226.2274
Molecular Formula:C14H10O3
InChIKey:Not Available
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Compound 28B
Molecular Weight:226.2274
Molecular Formula:C14H10O3
InChIKey:Not Available
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Compound 29A
Molecular Weight:240.254
Molecular Formula:C15H12O3
InChIKey:OABFIJGAEVKMJP-UHFFFAOYSA-N
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Compound 29B
Molecular Weight:240.254
Molecular Formula:C15H12O3
InChIKey:OABFIJGAEVKMJP-UHFFFAOYSA-N
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Compound 30
Molecular Weight:230.2592
Molecular Formula:C14H14O3
InChIKey:TZAKEZMPPUTARG-UHFFFAOYSA-N
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Compound 31
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 32
Molecular Weight:161.1574
Molecular Formula:C9H7NO2
InChIKey:FJKUOCCQEBLPNX-UHFFFAOYSA-N
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Compound 54
Molecular Weight:150.2176
Molecular Formula:C10H14O
InChIKey:WJQOZHYUIDYNHM-UHFFFAOYSA-N
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Compound 33
Molecular Weight:304.3425
Molecular Formula:C19H16N2O2
InChIKey:DOOOVMYBJJNACT-VBKFSLOCSA-N
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Compound 34
Molecular Weight:304.3425
Molecular Formula:C19H16N2O2
InChIKey:DOOOVMYBJJNACT-VBKFSLOCSA-N
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Compound 35
Molecular Weight:240.2109
Molecular Formula:C14H8O4
InChIKey:QBPFLULOKWLNNW-UHFFFAOYSA-N
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Compound 37
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 38
Molecular Weight:270.2387
Molecular Formula:C11H14N2O6
InChIKey:BTFALAGSMRHBOQ-UHFFFAOYSA-N
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Compound 39
Molecular Weight:386.241
Molecular Formula:C10H7Na3O8S2
InChIKey:KHUUNHBCNQWJEM-UHFFFAOYSA-K
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Compound 40
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 41A
Molecular Weight:211.1715
Molecular Formula:C9H9NO5
InChIKey:FIVNXYODPHPCLD-UHFFFAOYSA-N
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Compound 41B
Molecular Weight:211.1715
Molecular Formula:C9H9NO5
InChIKey:FIVNXYODPHPCLD-UHFFFAOYSA-N
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Compound 42
Molecular Weight:194.184
Molecular Formula:C10H10O4
InChIKey:AONRSNZGOMBWPX-UHFFFAOYSA-N
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Compound 43
Molecular Weight:186.2066
Molecular Formula:C12H10O2
InChIKey:VUIOUIWZVKVFCI-UHFFFAOYSA-N
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Compound 44
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 45
Molecular Weight:330.2889
Molecular Formula:C17H14O7
InChIKey:BODDUKHCEUVMFB-UHFFFAOYSA-N
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Compound 46
Molecular Weight:274.3133
Molecular Formula:C19H14O2
InChIKey:IWNZKMGBKBEPSO-UHFFFAOYSA-N
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Compound 47
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 48A
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 48B
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 48C
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 49
Molecular Weight:316.3532
Molecular Formula:C20H16N2O2
InChIKey:CJTQTLHLELHKEM-JFMUQQRKSA-N
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Compound 50
Molecular Weight:416.4706
Molecular Formula:C28H20N2O2
InChIKey:AEIQAMSFNASQDD-YAGSLNJISA-N
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Compound 51A
Molecular Weight:173.1681
Molecular Formula:C10H7NO2
InChIKey:YXAOOTNFFAQIPZ-UHFFFAOYSA-N
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Compound 51C
Molecular Weight:173.1681
Molecular Formula:C10H7NO2
InChIKey:YXAOOTNFFAQIPZ-UHFFFAOYSA-N
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Compound 51B
Molecular Weight:173.1681
Molecular Formula:C10H7NO2
InChIKey:YXAOOTNFFAQIPZ-UHFFFAOYSA-N
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Compound 53
Molecular Weight:272.2528
Molecular Formula:C15H12O5
InChIKey:FTVWIRXFELQLPI-UHFFFAOYSA-N
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Compound 55
Molecular Weight:178.2707
Molecular Formula:C12H18O
InChIKey:Not Available
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Compound 56
Molecular Weight:130.0922
Molecular Formula:C6H4F2O
InChIKey:CKKOVFGIBXCEIJ-UHFFFAOYSA-N
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Compound 57
Molecular Weight:134.1751
Molecular Formula:C9H10O
InChIKey:QIRNGVVZBINFMX-UHFFFAOYSA-N
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Compound 58
Molecular Weight:124.1372
Molecular Formula:C7H8O2
InChIKey:CQRYARSYNCAZFO-UHFFFAOYSA-N
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Compound 59
Molecular Weight:302.1926
Molecular Formula:C14H6O8
InChIKey:AFSDNFLWKVMVRB-UHFFFAOYSA-N
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Compound 60
Molecular Weight:138.1207
Molecular Formula:C7H6O3
InChIKey:YGSDEFSMJLZEOE-UHFFFAOYSA-N
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Compound 61
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 62
Molecular Weight:224.2546
Molecular Formula:C15H12O2
InChIKey:NZZIMKJIVMHWJC-UHFFFAOYSA-N
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Compound 63
Molecular Weight:174.1528
Molecular Formula:C10H6O3
InChIKey:CSFWPUWCSPOLJW-UHFFFAOYSA-N
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Compound 64
Molecular Weight:140.0936
Molecular Formula:C6H4O4
InChIKey:QFSYADJLNBHAKO-UHFFFAOYSA-N
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Compound 65
Molecular Weight:114.0563
Molecular Formula:C4H2O4
InChIKey:Not Available
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Compound 66
Molecular Weight:122.1213
Molecular Formula:C7H6O2
InChIKey:MDYOLVRUBBJPFM-UHFFFAOYSA-N
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Compound 67
Molecular Weight:240.2109
Molecular Formula:C14H8O4
InChIKey:GUEIZVNYDFNHJU-UHFFFAOYSA-N
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Compound 68
Molecular Weight:259.042
Molecular Formula:C10H4Cl2O4
InChIKey:UVESKDKGJSABKP-UHFFFAOYSA-N
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Compound 70
Molecular Weight:155.1082
Molecular Formula:C6H5NO4
InChIKey:Not Available
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Compound 71
Molecular Weight:123.1094
Molecular Formula:C6H5NO2
InChIKey:SEEZWGFVHCMHJF-UHFFFAOYSA-N
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Compound 72
Molecular Weight:123.1094
Molecular Formula:C6H5NO2
InChIKey:SEEZWGFVHCMHJF-UHFFFAOYSA-N
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Compound 73
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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