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Octadec-(12E)-enoate <methyl->
SpectraBase Compound ID BrPNkF8E4YR
InChI InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3/b8-7+
InChIKey LMWAESDDOGRMOK-BQYQJAHWSA-N
Mol Weight 296.5 g/mol
Molecular Formula C19H36O2
Exact Mass 296.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxkjMmtJ3Oo
Name Octadec-(12E)-enoate
CAS Registry Number 20221-23-2
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 296.271530397 u
Formula C19H36O2
InChI InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3/b8-7+
InChIKey LMWAESDDOGRMOK-BQYQJAHWSA-N
Molecular Weight 296.495 g/mol
Number of Peaks 215
RI2 1803
RI4 2110
SMILES C(CCCCCCCCCC\C=C\CCCCC)(=O)OC
SPLASH splash10-05nb-9310000000-2359b79fed5411df0d30
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 12-Octadecenoic acid, methyl ester, (12E) Me. C18:1n6
Wiley ID LM_LIPIDS2016_84