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5,8,11-Heptadecatrienoic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

5,8,11-Heptadecatrienoic acid, methyl ester
SpectraBase Compound ID JEPcNWamtn3
InChI InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-17H2,1-2H3/b8-7+,11-10+,14-13+
InChIKey SINQXHSEFNZZNO-SPOHZTNBSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqeR27Upn6m
Name 5,8,11-Heptadecatrienoic acid, methyl ester
CAS Registry Number 22117-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-17H2,1-2H3/b8-7+,11-10+,14-13+
InChIKey SINQXHSEFNZZNO-SPOHZTNBSA-N
Molecular Weight 278.436 g/mol
SMILES CCCCC\C=C\C\C=C\C\C=C\CCCC(=O)OC
SPLASH splash10-05nf-9300000000-aff96f3d31de5f62efe7
Source of Spectrum EP-4908-0-0
Synonyms Methyl (5E,8E,11E)-5,8,11-heptadecatrienoate (5E,8E,11E)-heptadeca-5,8,11-trienoic acid methyl ester Methyl (5E,8E,11E)-heptadeca-5,8,11-trienoate Methyl heptadeca-5,8,11-trienoate
Wiley ID 1282440