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Eicos-(13)-enoate <methyl->
SpectraBase Compound ID FMctXwyNAOA
InChI InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h8-9H,3-7,10-20H2,1-2H3/b9-8+
InChIKey XQXARCJTXXEQEX-CMDGGOBGSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mS8C74cf4C
Name Eicos-(13)-enoate
CAS Registry Number 13517-69-6
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h8-9H,3-7,10-20H2,1-2H3/b9-8+
InChIKey XQXARCJTXXEQEX-CMDGGOBGSA-N
Number of Peaks 182
RI2 2015
RI4 2300
SMILES C(CCCCCCCCCCC\C=C\CCCCCC)(=O)OC
SPLASH splash10-05mo-9100000000-eed6e4a455124fe8adc5
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 13-Eicosenoic acid, methyl ester Me. C20:1n7
Wiley ID LM_LIPIDS2016_131