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Tocotrienol <.beta.->, mono-TMS
SpectraBase Compound ID Dq6qb1a9Cd1
InChI InChI=1S/C31H50O2Si/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-20-31(7)21-19-28-27(6)29(33-34(8,9)10)22-26(5)30(28)32-31/h14,16,18,22H,11-13,15,17,19-21H2,1-10H3/b24-16+,25-18+
InChIKey LGAXPWJHIRKPIE-QTDXYHHISA-N
Mol Weight 482.8 g/mol
Molecular Formula C31H50O2Si
Exact Mass 482.358007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yAcSkx51Xf
Name Tocotrienol <.beta.->, mono-TMS
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 482.358007383 u
Formula C31H50O2Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C31H50O2Si/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-20-31(7)21-19-28-27(6)29(33-34(8,9)10)22-26(5)30(28)32-31/h14,16,18,22H,11-13,15,17,19-21H2,1-10H3/b24-16+,25-18+
InChIKey LGAXPWJHIRKPIE-QTDXYHHISA-N
Molecular Weight 482.824 g/mol
Nominal Mass 482 u
Number of Peaks 52
SMILES C1CC(Oc2c1c(c(cc2C)O[Si](C)(C)C)C)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C
SPLASH splash10-00e9-6190500000-6952e5ebbec0451c18df
Source Cayman Chemical; wheat bran
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Synonyms .beta.-Tocotrienol, mono-TMS
Wiley ID VI000834