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(2-ambo,4'R,8'R)-.beta.-4-Thiatocopherol

View entire compound with spectra: 1 MS (GC)

(2-ambo,4'R,8'R)-.beta.-4-Thiatocopherol
SpectraBase Compound ID Fdn0v5QtCgy
InChI InChI=1S/C27H46O2S/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-27(7)18-30-26-23(6)24(28)17-22(5)25(26)29-27/h17,19-21,28H,8-16,18H2,1-7H3/t20-,21-,27?/m1/s1
InChIKey CJTXECHVWXHYQV-NLDIKOHWSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O2S
Exact Mass 434.321852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EE5JwTAeyW
Name (2-ambo,4'R,8'R)-.beta.-4-Thiatocopherol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2S
InChI InChI=1S/C27H46O2S/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-27(7)18-30-26-23(6)24(28)17-22(5)25(26)29-27/h17,19-21,28H,8-16,18H2,1-7H3/t20-,21-,27?/m1/s1
InChIKey CJTXECHVWXHYQV-NLDIKOHWSA-N
Molecular Weight 434.723 g/mol
SMILES Oc1c(c2c(OC(CS2)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)c(C)c1)C
SPLASH splash10-00ec-8900300000-92c688156525736b3c77
Source of Spectrum U1-2010-2224-5b
Wiley ID 1663624