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(2S,S(S))-2-[(1R)-1-(4-METHYLPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID BFEkP9hnlx2
InChI InChI=1S/C16H16O3S/c1-11-7-9-12(10-8-11)16(2,17)15-19-13-5-3-4-6-14(13)20(15)18/h3-10,15,17H,1-2H3/t15-,16+,20?/m0/s1
InChIKey IBIAUQUTSIOAKC-QRFGBVCESA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1dRnV06FFT
Name [2S]-2-[(1R)-1'-(p-Methylphenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide
Alternate Name(s) (1R)-1-(4-methylphenyl)-1-[(2S)-3-oxidanylidene-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-methylphenyl)-1-[(2S)-3-oxido-1,3-benzoxathiol-2-yl]ethanol (1R)-1-(4-methylphenyl)-1-[(2S)-3-oxo-1,3-benzoxathiol-2-yl]ethanol (1R)-1-[(2S)-3-keto-1,3-benzoxathiol-2-yl]-1-(p-tolyl)ethanol (1R)-1-[(2S)-3-oxo-1,3-benzoxathiol-2-yl]-1-(p-tolyl)ethanol (1R)-1-(4-methylphenyl)-1-[(2S)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]ethanol (1R)-1-[(2S)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]-1-(p-tolyl)ethanol (1R)-1-(4-methylphenyl)-1-[(2S)-3-oxidanylidene-1,3$l^{4}-benzoxathiol-2-yl]ethanol
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Formula C16H16O3S
InChI InChI=1S/C16H16O3S/c1-11-7-9-12(10-8-11)16(2,17)15-19-13-5-3-4-6-14(13)20(15)18/h3-10,15,17H,1-2H3/t15-,16+,20?/m0/s1
InChIKey IBIAUQUTSIOAKC-QRFGBVCESA-N
Molecular Weight 288.361 g/mol
SMILES O[C@@]([C@@]1(S(c2ccccc2O1)=O)[H])(c1ccc(cc1)C)C
SPLASH splash10-00ke-3900000000-c9fceb682eed1e01a6be
Source of Spectrum Y-40-983-4
Wiley ID 1529019