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.beta.-Tocopherol, o-heptafluorobutyryl-

View entire compound with spectra: 1 NMR

.beta.-Tocopherol, o-heptafluorobutyryl-
SpectraBase Compound ID GH9IbpY131Q
InChI InChI=1S/C32H47F7O3/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)42-29)41-28(40)30(33,34)31(35,36)32(37,38)39/h19-22H,8-18H2,1-7H3
InChIKey NCOOQQVRNBXILQ-UHFFFAOYSA-N
Mol Weight 612.7 g/mol
Molecular Formula C32H47F7O3
Exact Mass 612.341343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYnGTaKeZYK
Name .beta.-Tocopherol, o-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 612.341342511 u
Formula C32H47F7O3
InChI InChI=1S/C32H47F7O3/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)42-29)41-28(40)30(33,34)31(35,36)32(37,38)39/h19-22H,8-18H2,1-7H3
InChIKey NCOOQQVRNBXILQ-UHFFFAOYSA-N
Molecular Weight 612.714 g/mol
SMILES C1(=CC(C)=C2C(=C1C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F