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(Z,Z)-4-(Heptadeca-8',11'-dienyl)-benzene-1,2-diol

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

(Z,Z)-4-(Heptadeca-8',11'-dienyl)-benzene-1,2-diol
SpectraBase Compound ID CbapPsCU8cv
InChI InChI=1S/C23H36O2/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/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6-,10-9-
InChIKey UONZBNICTACWRW-HZJYTTRNSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HbYQhMF5VfX
Name 1,2-Benzenediol, 4-(8,11-heptadecadienyl)-, (Z,Z)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.271530397 u
Formula C23H36O2
InChI InChI=1S/C23H36O2/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/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6-,10-9-
InChIKey UONZBNICTACWRW-HZJYTTRNSA-N
Molecular Weight 344.539 g/mol
SMILES C=1(C(=CC=C(C1)CCCCCCC\C=C/C\C=C/CCCCC)O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971243