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4-Heptadecylbenzene-1,2-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

4-Heptadecylbenzene-1,2-diol
SpectraBase Compound ID 5rzx23iZZkT
InChI InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22(24)23(25)20-21/h18-20,24-25H,2-17H2,1H3
InChIKey HUVBUJGLRMRTSF-UHFFFAOYSA-N
Mol Weight 348.6 g/mol
Molecular Formula C23H40O2
Exact Mass 348.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8hgvSVAQ7h
Name 4-Heptadecylbenzene-1,2-diol
CAS Registry Number 95718-87-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O2
InChI InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22(24)23(25)20-21/h18-20,24-25H,2-17H2,1H3
InChIKey HUVBUJGLRMRTSF-UHFFFAOYSA-N
Molecular Weight 348.571 g/mol
SMILES Oc1c(cc(cc1)CCCCCCCCCCCCCCCCC)O
SPLASH splash10-00di-0900000000-17704943cfdd5ca92503
Source of Spectrum B-41-25-21
Synonyms 4-Heptadecylpyrocatechol
Wiley ID 1341096