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alpha-Tocopherylquinone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

alpha-Tocopherylquinone
SpectraBase Compound ID Lp1cyxCJw85
InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3
InChIKey LTVDFSLWFKLJDQ-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvWXRuBt1qJ
Name ALPHA-TOCOPHERYLQUINONE
Compound Number 11
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3
InChIKey LTVDFSLWFKLJDQ-UHFFFAOYSA-N
Literature Reference Author J.G.URONES,I.S.MARCOS,L.CUBILLO,N.M.GARRIDO,P.BASABE
Literature Reference Citation PHYTOCHEM.,29,2223(1990)
Literature Reference DOI 10.1016/0031-9422(90)83042-Y
Molecular Weight 446.714 g/mol
Solvent CDCl3
Source File Reference UWMZ22415