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.Delta.-tocopherol, o-acetyl-

View entire compound with spectra: 1 NMR

.Delta.-tocopherol, o-acetyl-
SpectraBase Compound ID CnJFTGATjDq
InChI InChI=1S/C29H48O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-29(7)18-16-26-20-27(31-25(6)30)19-24(5)28(26)32-29/h19-23H,8-18H2,1-7H3
InChIKey TZGGOZSKJGOUCF-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Enqhwi1AqSN
Name .Delta.-tocopherol, o-acetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.360345403 u
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-29(7)18-16-26-20-27(31-25(6)30)19-24(5)28(26)32-29/h19-23H,8-18H2,1-7H3
InChIKey TZGGOZSKJGOUCF-UHFFFAOYSA-N
Molecular Weight 444.700 g/mol
SMILES C1(=CC(C)=C2C(=C1)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(C)=O