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(13Z,16Z,19Z)-docosatrienoate

View entire compound with spectra: 2 MS (GC)

(13Z,16Z,19Z)-docosatrienoate <methyl->
SpectraBase Compound ID ucGmccJokP
InChI InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey RXNIYBHTXVTSAK-YSTUJMKBSA-N
Mol Weight 348.6 g/mol
Molecular Formula C23H40O2
Exact Mass 348.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFOU1AqrIpy
Name (13Z,16Z,19Z)-docosatrienoate
CAS Registry Number 108698-01-7
Classification Fatty esters; Fatty acid methyl esters
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O2
InChI InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11H,3,6,9,12-22H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey RXNIYBHTXVTSAK-YSTUJMKBSA-N
Number of Peaks 282
RI2 2347
RI4 2504
RI5 2175
SMILES C(CCCCCCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC
SPLASH splash10-05pp-9300000000-34ea4c56d1588a534a2a
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 13,16,19-Docosatrienoic acid, methyl ester, (13Z,16Z,19Z)- Me. C22:3n4
Wiley ID LM_LIPIDS2016_198