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Pentadecanoic acid, 13-methyl-, methyl ester
SpectraBase Compound ID CrGFjFkBn4k
InChI InChI=1S/C17H34O2/c1-4-16(2)14-12-10-8-6-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
InChIKey FRGDXZRZDAJTOU-UHFFFAOYSA-N
Mol Weight 270.5 g/mol
Molecular Formula C17H34O2
Exact Mass 270.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ds4ORV5TfHg
Name 13-methylpentadecanoate
CAS Registry Number 5487-50-3
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 270.255880333 u
Formula C17H34O2
InChI InChI=1S/C17H34O2/c1-4-16(2)14-12-10-8-6-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
InChIKey FRGDXZRZDAJTOU-UHFFFAOYSA-N
Molecular Weight 270.457 g/mol
Number of Peaks 50
RI2 1576
RI4 1894
RI5 1572
SMILES C(CCCCCCCCCCCC(CC)C)(=O)OC
SPLASH splash10-05g3-9200000000-e052d393623ff7c7e413
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 Pentadecanoic acid, 13-methyl-, methyl ester Me. C16:0 anteiso
Wiley ID LM_LIPIDS2016_156