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linoleic acid, 1TMS
SpectraBase Compound ID LrCxhGotm0A
InChI InChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9+,13-12+
InChIKey MXGBYOVWUYSJSN-OKLKQMLOSA-N
Mol Weight 352.6 g/mol
Molecular Formula C21H40O2Si
Exact Mass 352.279757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jtd5nXXKj36
Name linoleic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 352.28); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000703; Note: The molecular formula of the structure shown is C18H32O2 - which differs from the formula reported for the mass spectrum (C21H40O2Si)
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Formula C21H40O2Si
InChI InChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9+,13-12+
InChIKey MXGBYOVWUYSJSN-OKLKQMLOSA-N
Molecular Weight 352.634 g/mol
SMILES CCCCC\C=C\C\C=C\CCCCCCCC(=O)O[Si](C)(C)C
SPLASH splash10-002e-3900000000-914514bf037ea08705a3
Source of Spectrum FM-2019-703-0
Synonyms Linoleic, 1TMS Leinoleic acid, 1TMS Telfairic acid, 1TMS Linolic acid, 1TMS Grape seed oil, 1TMS Octadeca-9,12-dienoic acid, 1TMS Trimethylsilyl (9E,12E)-octadeca-9,12-dienoate
Wiley ID 1818381