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

View entire compound with spectra: 1 MS (GC)

(2-ambo,4'R,8'R)-.delta.-4-Thiatocopherol
SpectraBase Compound ID 1yDnHnpkQJA
InChI InChI=1S/C26H44O2S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-26(6)18-29-24-17-23(27)16-22(5)25(24)28-26/h16-17,19-21,27H,7-15,18H2,1-6H3/t20-,21-,26?/m1/s1
InChIKey WQCVUXJJZIAHBQ-UNNWOSPESA-N
Mol Weight 420.7 g/mol
Molecular Formula C26H44O2S
Exact Mass 420.306202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UVLPKjiO8
Name (2-ambo,4'R,8'R)-.delta.-4-Thiatocopherol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O2S
InChI InChI=1S/C26H44O2S/c1-19(2)10-7-11-20(3)12-8-13-21(4)14-9-15-26(6)18-29-24-17-23(27)16-22(5)25(24)28-26/h16-17,19-21,27H,7-15,18H2,1-6H3/t20-,21-,26?/m1/s1
InChIKey WQCVUXJJZIAHBQ-UNNWOSPESA-N
Molecular Weight 420.696 g/mol
SMILES Oc1cc(c2c(SCC(O2)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)c1)C
SPLASH splash10-0a4l-9600200000-ee7b31d09281e72ccd6d
Source of Spectrum U1-2010-2224-5d
Wiley ID 1663622