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5(Z),11(Z),14(Z)-eicosatrienoate <methyl->
SpectraBase Compound ID INqzPjIvERL
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/h15-20H,3-14H2,1-2H3/b16-15-,18-17-,20-19-
InChIKey OTGPOJAJEGAHRA-BZFGXCDFSA-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 ETqWBxHDjsB
Name 5(Z),11(Z),14(Z)-eicosatrienoate
CAS Registry Number 82729-72-4
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  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/h15-20H,3-14H2,1-2H3/b16-15-,18-17-,20-19-
InChIKey OTGPOJAJEGAHRA-BZFGXCDFSA-N
Number of Peaks 243
RI2 2092
RI4 2271
RI5 1942
SMILES C(\C=C/C=C\C=C/CCCCCCCCCCCCC)(=O)OC
SPLASH splash10-00lr-9500000000-369ea844c80202fb5c02
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Eicosatrienoic acid, methyl ester, (Z,Z,Z)- (9CI) Me. C20:3n6
Wiley ID LM_LIPIDS2016_221