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(Z,Z)-3-(Heptadeca-8',11'-dienyl)-benzene-1,2-diol

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

(Z,Z)-3-(Heptadeca-8',11'-dienyl)-benzene-1,2-diol
SpectraBase Compound ID LnxbHEcqBsQ
InChI InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h6-7,9-10,17,19-20,24-25H,2-5,8,11-16,18H2,1H3/b7-6-,10-9-
InChIKey ALEDXSBPMQVUIV-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 HQtsBNdB6Da
Name 1,3-Benzenediol, 3-(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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h6-7,9-10,17,19-20,24-25H,2-5,8,11-16,18H2,1H3/b7-6-,10-9-
InChIKey ALEDXSBPMQVUIV-HZJYTTRNSA-N
Molecular Weight 344.539 g/mol
SMILES C=1(C(O)=CC=CC1CCCCCCC\C=C/C\C=C/CCCCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893977