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9-Octadecynoic acid, methyl ester
SpectraBase Compound ID xJ4DIFRDZK
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-9,12-18H2,1-2H3
InChIKey VGXHOYHYUMFLPG-UHFFFAOYSA-N
Mol Weight 294.5 g/mol
Molecular Formula C19H34O2
Exact Mass 294.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEdtwHVcNRY
Name Stearolate (6CI)
CAS Registry Number 1120-32-7
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 294.255880333 u
Formula C19H34O2
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-9,12-18H2,1-2H3
InChIKey VGXHOYHYUMFLPG-UHFFFAOYSA-N
Molecular Weight 294.479 g/mol
Number of Peaks 205
RI2 1963
RI4 2135
RI5 1807
SMILES C(CCCCCCCC#CCCCCCCCC)(=O)OC
SPLASH splash10-015a-9400000000-1a18e4239a6b16cebe32
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 9-Octadecynoic acid, methyl ester Me. C18:1n9
Wiley ID LM_LIPIDS2016_206