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

View entire compound with spectra: 1 NMR

(+)-.alpha.-tocopherol, o-heptafluorobutyryl-
SpectraBase Compound ID Gr5RvxcWZrO
InChI InChI=1S/C33H49F7O3/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)43-30)42-29(41)31(34,35)32(36,37)33(38,39)40/h20-22H,9-19H2,1-8H3
InChIKey XCBODWISQPHZDL-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C33H49F7O3
Exact Mass 626.356993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ImsysligM5
Name (+)-.alpha.-tocopherol, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 626.356992576 u
Formula C33H49F7O3
InChI InChI=1S/C33H49F7O3/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)43-30)42-29(41)31(34,35)32(36,37)33(38,39)40/h20-22H,9-19H2,1-8H3
InChIKey XCBODWISQPHZDL-UHFFFAOYSA-N
Molecular Weight 626.741 g/mol
SMILES C1(=C(C=2CCC(OC2C(=C1C)C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F