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(2-Ambo,4'R,8'R)-.alpha.-4-thiatocopherol

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

(2-Ambo,4'R,8'R)-.alpha.-4-thiatocopherol
SpectraBase Compound ID 43BQyXbr5mE
InChI InChI=1S/C28H48O2S/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-28(8)18-31-27-24(7)25(29)22(5)23(6)26(27)30-28/h19-21,29H,9-18H2,1-8H3/t20-,21-,28?/m1/s1
InChIKey UBIWWWRSPQJMKP-HGQPVNBUSA-N
Mol Weight 448.8 g/mol
Molecular Formula C28H48O2S
Exact Mass 448.337502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bya210zPhhK
Name (2-ambo,4'R,8'R)-.alpha.-4-Thiatocopherol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O2S
InChI InChI=1S/C28H48O2S/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-28(8)18-31-27-24(7)25(29)22(5)23(6)26(27)30-28/h19-21,29H,9-18H2,1-8H3/t20-,21-,28?/m1/s1
InChIKey UBIWWWRSPQJMKP-HGQPVNBUSA-N
Molecular Weight 448.750 g/mol
SMILES Oc1c(c(c2c(c1C)SCC(O2)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C)C
SPLASH splash10-001j-2900300000-80ef8e2e4f71f94d6bb1
Source of Spectrum U1-2010-2224-5a
Wiley ID 1663625