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.alpha.-tocopherylquinone-5,6-oxide
SpectraBase Compound ID Hv7wG3sMjCt
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6,32)19-17-24-23(5)25(30)28(7)29(8,33-28)26(24)31/h20-22,32H,9-19H2,1-8H3
InChIKey XKMXNXGDIBTSKJ-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C29H50O4
Exact Mass 462.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9LNLA0ZNek
Name .alpha.-tocopherylquinone-5,6-oxide
CAS Registry Number 128359-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O4
InChI InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-27(6,32)19-17-24-23(5)25(30)28(7)29(8,33-28)26(24)31/h20-22,32H,9-19H2,1-8H3
InChIKey XKMXNXGDIBTSKJ-UHFFFAOYSA-N
Molecular Weight 462.715 g/mol
SMILES OC(CCC=1C(C2(C(C(=O)C1C)(C)O2)C)=O)(CCCC(CCCC(CCCC(C)C)C)C)C
SPLASH splash10-014r-0960700000-bd61428e7f8473b5be22
Source of Spectrum C-112-7000-7
Synonyms 3-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-1,4,6-trimethyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Wiley ID 1391181