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.Delta.-tocopherol, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

.Delta.-tocopherol, o-heptafluorobutyryl-
SpectraBase Compound ID AzsUJuAXRzF
InChI InChI=1S/C31H45F7O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-28(6)17-15-24-19-25(18-23(5)26(24)41-28)40-27(39)29(32,33)30(34,35)31(36,37)38/h18-22H,7-17H2,1-6H3
InChIKey PMCAQIGNKZLLAE-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C31H45F7O3
Exact Mass 598.325692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUwP9sLC3MK
Name .Delta.-tocopherol, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.325692447 u
Formula C31H45F7O3
InChI InChI=1S/C31H45F7O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-28(6)17-15-24-19-25(18-23(5)26(24)41-28)40-27(39)29(32,33)30(34,35)31(36,37)38/h18-22H,7-17H2,1-6H3
InChIKey PMCAQIGNKZLLAE-UHFFFAOYSA-N
Molecular Weight 598.687 g/mol
SMILES C1(=CC(C)=C2C(=C1)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F