John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=D4neZNmc57H SpectraBase Spectrum ID=10zxX07Z4dt

(accessed ).
(2S,S(S))-2-[(1S)-1-(4-METHYLPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID D4neZNmc57H
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-SHPPYHEDSA-N
Mol Weight 288.36 g/mol
Molecular Formula C16H16O3S
Exact Mass 288.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10zxX07Z4dt
Name (2S,S(S))-2-[(1S)-1-(4-METHYLPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
Compound Number 5B
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-SHPPYHEDSA-N
Literature Reference Author S.CABIDDU,E.CADONI,S.MELIS,A.IANNI,A.M.BERNARD,M.G.CABIDDU,S .D.MONTIS,C.FATTUONI
Literature Reference Citation J.HETCYCL.CHEM.,40,979(2003)
Literature Reference DOI 10.1002/jhet.5570400605
Molecular Weight 288.361 g/mol
Solvent DMSO-D6
Source File Reference UWMS22892
SpectraBase Batch ID 2bDDWuCMeHy