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(+)-.gamma.-tocopherol, o-trifluoroacetyl-

View entire compound with spectra: 1 NMR

(+)-.gamma.-tocopherol, o-trifluoroacetyl-
SpectraBase Compound ID 64qYVrUlwcr
InChI InChI=1S/C30H47F3O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-19-26(35-28(34)30(31,32)33)23(5)24(6)27(25)36-29/h19-22H,8-18H2,1-7H3
InChIKey OWMUJRCXUOSNAV-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C30H47F3O3
Exact Mass 512.34773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlFKuZ7dJ0V
Name (+)-.gamma.-tocopherol, o-trifluoroacetyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.347729859 u
Formula C30H47F3O3
InChI InChI=1S/C30H47F3O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-19-26(35-28(34)30(31,32)33)23(5)24(6)27(25)36-29/h19-22H,8-18H2,1-7H3
InChIKey OWMUJRCXUOSNAV-UHFFFAOYSA-N
Molecular Weight 512.698 g/mol
SMILES C1(=C(C(C)=C2C(=C1)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(C(F)(F)F)=O