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Docos-(11)-enoate <methyl->
SpectraBase Compound ID EBudLddOo0
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h12-13H,3-11,14-22H2,1-2H3/b13-12+
InChIKey QIZZORAOGOPHQF-OUKQBFOZSA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfuwJhgcACo
Name Docos-(11)-enoate
CAS Registry Number 2463-07-2
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 352.334130655 u
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h12-13H,3-11,14-22H2,1-2H3/b13-12+
InChIKey QIZZORAOGOPHQF-OUKQBFOZSA-N
Molecular Weight 352.603 g/mol
Number of Peaks 225
RI2 2203
RI4 2503
SMILES C(CCCCCCCCC\C=C\CCCCCCCCCC)(=O)OC
SPLASH splash10-05mp-9200000000-e9141095cbf0aea47328
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 11-Docosenoic acid, methyl ester Me. C22:1n11
Wiley ID LM_LIPIDS2016_135