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(+)-.alpha.-tocopherol, o-pentafluoropropionyl-

View entire compound with spectra: 1 NMR

(+)-.alpha.-tocopherol, o-pentafluoropropionyl-
SpectraBase Compound ID Hwu2Q3Vm6A3
InChI InChI=1S/C32H49F5O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(23(5)24(6)28(26)40-30)39-29(38)31(33,34)32(35,36)37/h20-22H,9-19H2,1-8H3
InChIKey ZWZMZLFSLHSUSY-UHFFFAOYSA-N
Mol Weight 576.7 g/mol
Molecular Formula C32H49F5O3
Exact Mass 576.360186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsL5Sf808vU
Name (+)-.alpha.-tocopherol, o-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.360186250 u
Formula C32H49F5O3
InChI InChI=1S/C32H49F5O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-30(8)19-17-26-25(7)27(23(5)24(6)28(26)40-30)39-29(38)31(33,34)32(35,36)37/h20-22H,9-19H2,1-8H3
InChIKey ZWZMZLFSLHSUSY-UHFFFAOYSA-N
Molecular Weight 576.733 g/mol
SMILES C1(=C(C=2CCC(OC2C(=C1C)C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(C(C(F)(F)F)(F)F)=O