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METHYL_Z,Z,Z-OCTADECA-9,12,15-TRIENOATE;(ALPHA-LINOLENIC-METHYLESTER)
SpectraBase Compound ID DvjIeSQgvHS
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey DVWSXZIHSUZZKJ-YSTUJMKBSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUBE8bTpBiO
Name Linolenate
Source of Sample SAFC Cat.no. W259802
CAS Registry Number 301-00-8
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 292.240230268 u
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey DVWSXZIHSUZZKJ-YSTUJMKBSA-N
Molecular Weight 292.463 g/mol
Number of Peaks 50
RI1 2098
RI2 1772
RI3 1928
RI4 1893
SMILES C(CCCCCCC\C=C/C\C=C/C\C=C/CC)(=O)OC
SPLASH splash10-05po-9100000000-ff6b43a8be18c28613f8
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-
Wiley ID LM_FFNSC3_1690