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Linolenic acid
SpectraBase Compound ID Hfe7Csa47nn
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChIKey DTOSIQBPPRVQHS-PDBXOOCHSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mVcxX2d5xQ
Name Linolenic acid
CAS Registry Number 463-40-1
Classification Fatty acid
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 278.224580204 u
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
InChIKey DTOSIQBPPRVQHS-PDBXOOCHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 278.436 g/mol
Nominal Mass 278 u
Quality 944
Retention Index 1955
SMILES OC(CCCCCCC\C=C/C\C=C/C\C=C/CC)=O
SPLASH splash10-05po-9200000000-1ad2461e222df47a4b9b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (9Z,12Z,15Z)Octadeca-9,12,15-trienoic acid
Technique GC/MS
Wiley ID DD2024_032047