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Octadecanoic acid, 17-methyl-, methyl ester
SpectraBase Compound ID JarSH0xymtg
InChI InChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey MASZVQKLIMRPFY-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOgg7Ld0Gck
Name 17-methyloctadecanoate
CAS Registry Number 55124-97-5
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 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-19(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey MASZVQKLIMRPFY-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
Number of Peaks 50
RI2 1863
RI4 2188
RI5 1865
SMILES C(CCCCCCCCCCCCCCCC(C)C)(=O)OC
SPLASH splash10-00du-9100000000-753f20f39b683aae911d
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 Octadecanoic acid, 17-methyl-, methyl ester Me. C19:0 iso
Wiley ID LM_LIPIDS2016_160