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alpha tocopherol, 1TMS
SpectraBase Compound ID mlvCcVzNQb
InChI InChI=1S/C33H60O2Si/c1-24(2)16-14-18-26(4)20-15-19-25(3)17-12-13-22-33(8)23-21-30-29(7)31(35-36(9,10)11)27(5)28(6)32(30)34-33/h24-26H,12-23H2,1-11H3
InChIKey ROJKWMUSEZSMED-UHFFFAOYSA-N
Mol Weight 516.9 g/mol
Molecular Formula C33H60O2Si
Exact Mass 516.436258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlzJ1baHigM
Name alpha tocopherol, 1TMS
Comments Derivatization type: 1 TMS (mass: 516.436); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001086; Note: The molecular formula of the structure shown is C30H52O2 - which differs from the formula reported for the mass spectrum (C33H60O2Si)
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Formula C33H60O2Si
InChI InChI=1S/C33H60O2Si/c1-24(2)16-14-18-26(4)20-15-19-25(3)17-12-13-22-33(8)23-21-30-29(7)31(35-36(9,10)11)27(5)28(6)32(30)34-33/h24-26H,12-23H2,1-11H3
InChIKey ROJKWMUSEZSMED-UHFFFAOYSA-N
Molecular Weight 516.926 g/mol
SMILES CC(C)CCCC(C)CCCC(C)CCCCC1(C)CCc2c(C)c(c(C)c(C)c2O1)O[Si](C)(C)C
SPLASH splash10-000i-0390000000-5318d54bdab6ab66ed01
Source of Spectrum FM-2019-1086-0
Synonyms alpha-Tocopherol, 1TMS 364-50-1, 1TMS 2,5,7,8-tetramethyl-2-(5,9,13-trimethyltetradecyl)chroman-6-ol, 1TMS Trimethyl((2,5,7,8-tetramethyl-2-(5,9,13-trimethyltetradecyl)chroman-6-yl)oxy)silane
Wiley ID 1818744