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Vitamin E acetate
SpectraBase Compound ID IHfkXVwpS9m
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/t22-,23-,31-/m1/s1
InChIKey ZAKOWWREFLAJOT-CEFNRUSXSA-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 5rjwj1okzMG
Name Vitamin E acetate
Alternate Name(s) .alpha.-Tocopherol acetate (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-yl acetate
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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/t22-,23-,31-/m1/s1
InChIKey ZAKOWWREFLAJOT-CEFNRUSXSA-N
Molecular Weight 472.754 g/mol
SMILES Cc1c2c(O[C@@](CCC[C@](C)(CCC[C@](C)(CCCC(C)C)[H])[H])(C)CC2)c(C)c(C)c1OC(C)=O
SPLASH splash10-05o3-9720600000-8db944c6568999771449
Source of Spectrum SWG-33-1594-0
Wiley ID 1809275