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.beta.-Tocopherol, o-acetyl-

View entire compound with spectra: 1 NMR

.beta.-Tocopherol, o-acetyl-
SpectraBase Compound ID 6GgFqbDIWJ3
InChI InChI=1S/C30H50O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-25(6)28(32-26(7)31)20-24(5)29(27)33-30/h20-23H,9-19H2,1-8H3
InChIKey OBYRLAGSPYKPGO-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lu174R2TzR5
Name .beta.-Tocopherol, o-acetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.375995467 u
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-30(8)19-17-27-25(6)28(32-26(7)31)20-24(5)29(27)33-30/h20-23H,9-19H2,1-8H3
InChIKey OBYRLAGSPYKPGO-UHFFFAOYSA-N
Molecular Weight 458.727 g/mol
SMILES C1(=CC(C)=C2C(=C1C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(C)=O