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(2S)-2-[(1S)-1'-(p-Methylphenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide

View entire compound with spectra: 1 MS (GC)

(2S)-2-[(1S)-1'-(p-Methylphenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide
SpectraBase Compound ID 2FKYGQkGa8w
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-NGEICVOHSA-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 KCOuHgP07g9
Name (2S)-2-[(1S)-1'-(p-Methylphenyl)-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide
Alternate Name(s) (1S)-1-(4-methylphenyl)-1-(3-oxido-1,3-benzoxathiol-2-yl)ethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-NGEICVOHSA-N
Molecular Weight 288.361 g/mol
SMILES O[C@](C1S(c2ccccc2O1)=O)(c1ccc(cc1)C)C
SPLASH splash10-00ke-4900000000-98d791f0a0111933c959
Source of Spectrum Y-40-983-5
Wiley ID 1567248