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4-(Heptadec-8'-enyl)benzene-1,2-diol

View entire compound with spectra: 1 MS (GC)

4-(Heptadec-8'-enyl)benzene-1,2-diol
SpectraBase Compound ID 74gJNwDZoO5
InChI InChI=1S/C23H38O2/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/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9+
InChIKey YENRYEQVOZCWQH-MDZDMXLPSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AE6R3TwyLK
Name 4-(Heptadec-8'-enyl)benzene-1,2-diol
Alternate Name(s) 4-[(8E)-8-heptadecenyl]-1,2-benzenediol
CAS Registry Number 122850-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O2
InChI InChI=1S/C23H38O2/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/h9-10,18-20,24-25H,2-8,11-17H2,1H3/b10-9+
InChIKey YENRYEQVOZCWQH-MDZDMXLPSA-N
Molecular Weight 346.555 g/mol
SMILES Oc1c(cc(cc1)CCCCCCC\C=C\CCCCCCCC)O
SPLASH splash10-00di-0900000000-8355b22d882aa26b32f9
Source of Spectrum KC-1989-438-47
Wiley ID 1339736