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.beta.-Tocopherol, o-pentafluoropropionyl-

View entire compound with spectra: 1 NMR

.beta.-Tocopherol, o-pentafluoropropionyl-
SpectraBase Compound ID F0WMmbGHlbx
InChI InChI=1S/C31H47F5O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-24(6)26(19-23(5)27(25)39-29)38-28(37)30(32,33)31(34,35)36/h19-22H,8-18H2,1-7H3
InChIKey BFYRGFPQIGMCAG-UHFFFAOYSA-N
Mol Weight 562.7 g/mol
Molecular Formula C31H47F5O3
Exact Mass 562.344536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 77jI3TojXgP
Name .beta.-Tocopherol, o-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.344536185 u
Formula C31H47F5O3
InChI InChI=1S/C31H47F5O3/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-29(7)18-16-25-24(6)26(19-23(5)27(25)39-29)38-28(37)30(32,33)31(34,35)36/h19-22H,8-18H2,1-7H3
InChIKey BFYRGFPQIGMCAG-UHFFFAOYSA-N
Molecular Weight 562.706 g/mol
SMILES C1(=CC(C)=C2C(=C1C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(C(C(F)(F)F)(F)F)=O