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METHYL-EICOSA-ALL-cis-11,14,17-TRIENOATE
SpectraBase Compound ID 7BLEJQbe2jQ
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/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4+,8-7+,11-10+
InChIKey XQAVRBUXEPJVRC-JSIPCRQOSA-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 FH1R7noMFyn
Name Eicosa-(11,14,17)-trienoate
CAS Registry Number 55682-88-7
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/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4+,8-7+,11-10+
InChIKey XQAVRBUXEPJVRC-JSIPCRQOSA-N
Number of Peaks 50
RI2 2134
RI4 2280
SMILES C(CCCCCCCCC\C=C\C\C=C\C\C=C\CC)(=O)OC
SPLASH splash10-0603-9300000000-382ee2fe2b65af2656c4
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 11,14,17-Eicosatrienoic acid, methyl ester Me. C20:3n3
Wiley ID LM_LIPIDS2016_136