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4,7-Octadecadienoic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

4,7-Octadecadienoic acid, methyl ester
SpectraBase Compound ID BYhXaS32wBM
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3/b13-12+,16-15+
InChIKey QJWDMDBBPMJKTF-XUPYMNJSSA-N
Mol Weight 294.5 g/mol
Molecular Formula C19H34O2
Exact Mass 294.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEetDNQEPDw
Name 4,7-Octadecadienoic acid, methyl ester
CAS Registry Number 56630-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H34O2
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3/b13-12+,16-15+
InChIKey QJWDMDBBPMJKTF-XUPYMNJSSA-N
Molecular Weight 294.479 g/mol
SMILES CCCCCCCCCC\C=C\C\C=C\CCC(=O)OC
SPLASH splash10-000x-9210000000-00c7dce8493124f46672
Source of Spectrum EP-4892-0-0
Synonyms Methyl (4E,7E)-4,7-octadecadienoate (4E,7E)-octadeca-4,7-dienoic acid methyl ester Methyl (4E,7E)-octadeca-4,7-dienoate
Wiley ID 43485