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(9E,11Z)-8-Hydroxyoctadeca-9,11-dienoic acid, o,o'-bis-methyl

View entire compound with spectra: 1 NMR, and 1 FTIR

(9E,11Z)-8-Hydroxyoctadeca-9,11-dienoic acid, o,o'-bis-methyl
SpectraBase Compound ID 1J8PbMdeglC
InChI InChI=1S/C20H36O3/c1-4-5-6-7-8-9-10-13-16-19(22-2)17-14-11-12-15-18-20(21)23-3/h9-10,13,16,19H,4-8,11-12,14-15,17-18H2,1-3H3/b10-9-,16-13+
InChIKey QYVUKOCSOVZWJS-OVJCAMNVSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BEr5cqpG40U
Name (9E,11Z)-8-Hydroxyoctadeca-9,11-dienoic acid, o,o'-bis-methyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.266445016 u
Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-4-5-6-7-8-9-10-13-16-19(22-2)17-14-11-12-15-18-20(21)23-3/h9-10,13,16,19H,4-8,11-12,14-15,17-18H2,1-3H3/b10-9-,16-13+
InChIKey QYVUKOCSOVZWJS-OVJCAMNVSA-N
Molecular Weight 324.505 g/mol
SMILES C(CCCCCCC(\C=C\C=C/CCCCCC)OC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983597