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5(Z),9(Z)-Octadecadienoate (Taxoleic) <methyl->
SpectraBase Compound ID 3K0lDvZ7F6G
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11,14-15H,3-9,12-13,16-18H2,1-2H3/b11-10-,15-14-
InChIKey MTWLYBBQNPBFRK-JPTBNZNUSA-N
Mol Weight 294.5 g/mol
Molecular Formula C19H34O2
Exact Mass 294.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FcsPjRkIZS
Name 5(Z),9(Z)-Octadecadienoate (Taxoleic)
CAS Registry Number 60668-98-6
Classification Fatty esters; Fatty acid methyl esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 294.255880333 u
Formula C19H34O2
InChI InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11,14-15H,3-9,12-13,16-18H2,1-2H3/b11-10-,15-14-
InChIKey MTWLYBBQNPBFRK-JPTBNZNUSA-N
Molecular Weight 294.479 g/mol
Number of Peaks 229
RI2 1847
RI4 2078
RI5 1752
SMILES C(CCC\C=C/CC\C=C/CCCCCCCC)(=O)OC
SPLASH splash10-067i-9500000000-d9006240d90deeb7a33e
Sample Comments RI1: measured on Equity-1 (Alkanes) RI2: measured on Supelcowax-10 (FAMEs) RI3: measured on Supelcowax-10 (FAEEs) RI4: measured on SLB-5ms (Alkanes) RI5: measured on SLB-5ms (FAMEs)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 5,9-Octadecadienoic acid, methyl ester (all Z-) Me. C18:2 n9
Wiley ID LM_LIPIDS2016_214