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alpha-Tocopherol AC
SpectraBase Compound ID FOw6rL7SMRp
InChI InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
InChIKey ZAKOWWREFLAJOT-UHFFFAOYSA-N
Mol Weight 472.8 g/mol
Molecular Formula C31H52O3
Exact Mass 472.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3PHbfix9jKC
Name (.+/-.)-.alpha.-Tocopherol Acetate
Catalog Number 29150
CAS Registry Number 7695-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O3
InChI InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
InChIKey ZAKOWWREFLAJOT-UHFFFAOYSA-N
Molecular Weight 472.754 g/mol
SMILES Cc1c2c(CCC(CCCC(C)CCCC(C)CCCC(C)C)(C)O2)c(C)c(OC(C)=O)c1C
SPLASH splash10-001i-3920800000-72079b3b9526c659ef94
Source of Spectrum CAY-2023-308-0
Wiley ID 1888274