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(2RS,3SR,4RS,6SR)-3-Hydroxy-4,6-dimethoxy-2-trifluoromethyltetrahydrothiopyran
SpectraBase Compound ID 1ATAYIjd3CE
InChI InChI=1S/C8H13F3O3S/c1-13-4-3-5(14-2)15-7(6(4)12)8(9,10)11/h4-7,12H,3H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChIKey WBSCXJHWZZGTIQ-JRTVQGFMSA-N
Mol Weight 246.24 g/mol
Molecular Formula C8H13F3O3S
Exact Mass 246.05375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Juy06XMj7EM
Name (2RS,3SR,4RS,6SR)-3-Hydroxy-4,6-dimethoxy-2-trifluoromethyltetrahydrothiopyran
Appearance Yellow oil
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Exact Mass 246.053749939 u
Formula C8H13F3O3S
InChI InChI=1S/C8H13F3O3S/c1-13-4-3-5(14-2)15-7(6(4)12)8(9,10)11/h4-7,12H,3H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChIKey WBSCXJHWZZGTIQ-JRTVQGFMSA-N
Instrument Name Hewlett-Packard 5890/5972
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800643
Molecular Weight 246.244 g/mol
Quality 378
SMILES O[C@]1([C@@](C[C@](S[C@]1(C(F)(F)F)[H])(OC)[H])(OC)[H])[H]
SPLASH splash10-00ls-9630000000-4caea13b78334fd96e27
Source of Spectrum K1-2018-5581-10 (DOI: 10.1002/ejoc.201800643)
Thin-Layer Chromatography 0.30 (CHCl3)
Wiley ID 1894337