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(2R,S(S))-2-[(1R)-1-(4-TRIFLUOROMETHYLPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID J2ekKyiKOPw
InChI InChI=1S/C16H13F3O3S/c1-15(20,10-6-8-11(9-7-10)16(17,18)19)14-22-12-4-2-3-5-13(12)23(14)21/h2-9,14,20H,1H3/t14-,15-,23?/m1/s1
InChIKey YDIFXAMGTCFRCP-AULLONERSA-N
Mol Weight 342.33 g/mol
Molecular Formula C16H13F3O3S
Exact Mass 342.05375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dyRQSCRkjS
Name (2R,S(S))-2-[(1R)-1-(4-TRIFLUOROMETHYLPHENYL)-1-HYDROXYETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H13F3O3S
InChI InChI=1S/C16H13F3O3S/c1-15(20,10-6-8-11(9-7-10)16(17,18)19)14-22-12-4-2-3-5-13(12)23(14)21/h2-9,14,20H,1H3/t14-,15-,23?/m1/s1
InChIKey YDIFXAMGTCFRCP-AULLONERSA-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 342.333 g/mol
Solvent DMSO-D6
Source File Reference UWMS22905