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(2S,S(S))-2-[(1S)-1-(4-METHOXYPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID 9O03d6x5yVJ
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-FQWCMUAHSA-N
Mol Weight 304.36 g/mol
Molecular Formula C16H16O4S
Exact Mass 304.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4tyfQMfRn4
Name (2S,S(S))-2-[(1S)-1-(4-METHOXYPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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-FQWCMUAHSA-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 304.361 g/mol
Solvent DMSO-D6
Source File Reference UWMS22888