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linolenic acid, 1TMS
SpectraBase Compound ID CHjfkOESJ27
InChI InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12-
InChIKey DCFAEXKJEMZTKR-QNEBEIHSSA-N
Mol Weight 350.6 g/mol
Molecular Formula C21H38O2Si
Exact Mass 350.264107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLJzOmWbR92
Name linolenic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 350.264); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000701; Note: The molecular formula of the structure shown is C18H30O2 - which differs from the formula reported for the mass spectrum (C21H38O2Si)
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Formula C21H38O2Si
InChI InChI=1S/C21H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3/b7-6-,10-9-,13-12-
InChIKey DCFAEXKJEMZTKR-QNEBEIHSSA-N
Molecular Weight 350.618 g/mol
SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[Si](C)(C)C
SPLASH splash10-052f-5900000000-7a729281e08790e0ea25
Source of Spectrum FM-2019-701-0
Synonyms linolenate, 1TMS alpha-Linolenic acid, 1TMS alpha-Lnn, 1TMS alpha-Linolenate, 1TMS Linolenic acid (8CI), 1TMS (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid, 1TMS Trimethylsilyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Wiley ID 1818379