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Octadec-(12E)-enoate

View entire compound with spectra: 4 MS (GC)

Octadec-(12E)-enoate <methyl->
SpectraBase Compound ID BrPNkF8E4YR
InChI InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3/b8-7+
InChIKey LMWAESDDOGRMOK-BQYQJAHWSA-N
Mol Weight 296.5 g/mol
Molecular Formula C19H36O2
Exact Mass 296.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QMVBr81Prj
Name 12-Octadecenoic acid, methyl ester
CAS Registry Number 56554-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O2
InChI InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3/b8-7+
InChIKey LMWAESDDOGRMOK-BQYQJAHWSA-N
Molecular Weight 296.495 g/mol
SMILES CCCCC\C=C\CCCCCCCCCCC(=O)OC
SPLASH splash10-05nf-9000000000-93201dd152b9cfaf6d65
Source of Spectrum Va-0-0-0
Synonyms Methyl (12E)-12-octadecenoate (E)-12-octadecenoic acid methyl ester (E)-octadec-12-enoic acid methyl ester Methyl (E)-octadec-12-enoate Methyl octadec-12-enoate
Wiley ID 741148