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(2S,S(S))-2-[(1R)-1-(4-METHOXYPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID GYQ85Gu831B
InChI InChI=1S/C16H16O4S/c1-16(17,11-7-9-12(19-2)10-8-11)15-20-13-5-3-4-6-14(13)21(15)18/h3-10,15,17H,1-2H3/t15-,16+,21?/m0/s1
InChIKey SGBSCKDFXZSIQS-PTHSTZKBSA-N
Mol Weight 304.36 g/mol
Molecular Formula C16H16O4S
Exact Mass 304.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gatzb2Kuhjv
Name [2S]-2-[(1R)-1'-(p-Methoxyphenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide
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Formula C16H16O4S
InChI InChI=1S/C16H16O4S/c1-16(17,11-7-9-12(19-2)10-8-11)15-20-13-5-3-4-6-14(13)21(15)18/h3-10,15,17H,1-2H3/t15-,16+,21?/m0/s1
InChIKey SGBSCKDFXZSIQS-PTHSTZKBSA-N
Molecular Weight 304.360 g/mol
SMILES O[C@@]([C@@]1(S(c2ccccc2O1)=O)[H])(c1ccc(cc1)OC)C
SPLASH splash10-000g-9600000000-4c6808c89348fe8bb899
Source of Spectrum Y-40-982-4
Synonyms (1R)-1-(4-methoxyphenyl)-1-[(2S)-3-oxidanylidene-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-methoxyphenyl)-1-[(2S)-3-oxido-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-methoxyphenyl)-1-[(2S)-3-oxo-1,3-benzoxathiol-2-yl]ethanol (1R)-1-[(2S)-3-keto-1,3-benzoxathiol-2-yl]-1-(4-methoxyphenyl)ethanol (1R)-1-(4-methoxyphenyl)-1-[(2S)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]ethanol (1R)-1-(4-methoxyphenyl)-1-[(2S)-3-oxidanylidene-1,3$l^{4}-benzoxathiol-2-yl]ethanol
Wiley ID 1529023