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(2R,S(S))-2-[(1R)-1-(4-FLUOROPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID E4Jgn1IJkcl
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-YNCRUDOASA-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 LNmgjILnz5b
Name [2R]-2-[(1R)-1'-(p-Fluorophenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-YNCRUDOASA-N
Molecular Weight 292.324 g/mol
SMILES O[C@@]([C@]1(S(c2ccccc2O1)=O)[H])(c1ccc(cc1)F)C
SPLASH splash10-0fe3-4900000000-8484ef0c455a9170b30e
Source of Spectrum Y-40-985-6
Synonyms (1R)-1-(4-fluorophenyl)-1-[(2R)-3-keto-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-fluorophenyl)-1-[(2R)-3-oxidanylidene-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-fluorophenyl)-1-[(2R)-3-oxido-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-fluorophenyl)-1-[(2R)-3-oxo-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-fluorophenyl)-1-[(2R)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]ethanol (1R)-1-(4-fluorophenyl)-1-[(2R)-3-oxidanylidene-1,3$l^{4}-benzoxathiol-2-yl]ethanol
Wiley ID 1529009