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Octadecanoic acid, 16-methyl-, methyl ester
SpectraBase Compound ID E43IB7tP4yu
InChI InChI=1S/C20H40O2/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey IAAPBHVWQFGAED-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 APLLYxbtyIU
Name 16-methyloctadecanoate
CAS Registry Number 2490-16-6
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/c1-4-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(21)22-3/h19H,4-18H2,1-3H3
InChIKey IAAPBHVWQFGAED-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
Number of Peaks 50
RI2 1888
RI4 2197
RI5 1874
SMILES C(CCCCCCCCCCCCCCC(CC)C)(=O)OC
SPLASH splash10-05g3-9210000000-b316f3a7b4f22d0db155
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, 16-methyl-, methyl ester Me. C19:0 anteiso
Wiley ID LM_LIPIDS2016_157