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Stearidonate <methyl->
SpectraBase Compound ID 6nEQR9W8Zka
InChI InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
InChIKey BIRKCHKCDPCDEG-GJDCDIHCSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I5P8pk1J2P5
Name Stearidonate
CAS Registry Number 73097-00-4
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-18H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
InChIKey BIRKCHKCDPCDEG-GJDCDIHCSA-N
Number of Peaks 217
RI2 1947
RI4 2078
SMILES C(CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC
SPLASH splash10-054o-9300000000-b222eb265ad72145f196
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 6,9,12,15-Octadecatetraenoic acid, methyl ester, (6Z,9Z,12Z,15Z) Me. C18:4n3
Wiley ID LM_LIPIDS2016_93