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5,8,11-Eicosatrienoic acid, methyl ester

View entire compound with spectra: 2 MS (GC)

5,8,11-Eicosatrienoic acid, methyl ester
SpectraBase Compound ID IjqCBaVV11v
InChI InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10+,14-13+,17-16+
InChIKey AESHPAQQBZWZMS-WFDWJBHXSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSirc3nTTT8
Name 5,8,11-Eicosatrienoic acid, methyl ester
CAS Registry Number 2463-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10+,14-13+,17-16+
InChIKey AESHPAQQBZWZMS-WFDWJBHXSA-N
Molecular Weight 320.517 g/mol
SMILES CCCCCCCC\C=C\C\C=C\C\C=C\CCCC(=O)OC
SPLASH splash10-005c-9300000000-574db64022e5659a01f3
Source of Spectrum EP-5132-0-0
Synonyms Methyl (5E,8E,11E)-5,8,11-icosatrienoate (5E,8E,11E)-eicosa-5,8,11-trienoic acid methyl ester Methyl (5E,8E,11E)-icosa-5,8,11-trienoate
Wiley ID 1320579