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(2R,S(S))-2-[(1S)-1-(4-FLUOROPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID IKtlqXqIePy
InChI InChI=1S/C15H13FO3S/c1-15(17,10-6-8-11(16)9-7-10)14-19-12-4-2-3-5-13(12)20(14)18/h2-9,14,17H,1H3/t14-,15+,20?/m1/s1
InChIKey YXCNFGKZLOFCMQ-FKTKBCEVSA-N
Mol Weight 292.32 g/mol
Molecular Formula C15H13FO3S
Exact Mass 292.056944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74A30437dqH
Name [2R]-2-[(1S)-1'-(p-Fluorophenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide
Alternate Name(s) (1S)-1-(4-fluorophenyl)-1-[(2R)-3-keto-1,3-benzoxathiol-2-yl]ethanol (1S)-1-(4-fluorophenyl)-1-[(2R)-3-oxidanylidene-1,3-benzoxathiol-2-yl]ethanol (1S)-1-(4-fluorophenyl)-1-[(2R)-3-oxido-1,3-benzoxathiol-2-yl]ethanol (1S)-1-(4-fluorophenyl)-1-[(2R)-3-oxo-1,3-benzoxathiol-2-yl]ethanol (1S)-1-(4-fluorophenyl)-1-[(2R)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]ethanol (1S)-1-(4-fluorophenyl)-1-[(2R)-3-oxidanylidene-1,3$l^{4}-benzoxathiol-2-yl]ethanol
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Formula C15H13FO3S
InChI InChI=1S/C15H13FO3S/c1-15(17,10-6-8-11(16)9-7-10)14-19-12-4-2-3-5-13(12)20(14)18/h2-9,14,17H,1H3/t14-,15+,20?/m1/s1
InChIKey YXCNFGKZLOFCMQ-FKTKBCEVSA-N
Molecular Weight 292.324 g/mol
SMILES O[C@]([C@]1(S(c2ccccc2O1)=O)[H])(c1ccc(cc1)F)C
SPLASH splash10-000i-4900000000-f932b745ca223765af41
Source of Spectrum Y-40-985-7
Wiley ID 1529008