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Tridecanoic acid, 12-methyl-, methyl ester
SpectraBase Compound ID BaVQFmZBwrz
InChI InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
InChIKey FLESKWMKPOBWDE-UHFFFAOYSA-N
Mol Weight 242.4 g/mol
Molecular Formula C15H30O2
Exact Mass 242.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DYjwhNVfQY
Name Isomyristate
CAS Registry Number 5129-58-8
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 242.224580204 u
Formula C15H30O2
InChI InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
InChIKey FLESKWMKPOBWDE-UHFFFAOYSA-N
Molecular Weight 242.403 g/mol
Number of Peaks 50
RI2 1358
RI4 1687
RI5 1366
SMILES C(CCCCCCCCCCC(C)C)(=O)OC
SPLASH splash10-00du-9100000000-1359037705bd5316489a
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 Tridecanoic acid, 12-methyl-, methyl ester Me. C14:0 iso
Wiley ID LM_LIPIDS2016_141