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(2S,S(S))-2-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-PHENYLETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
SpectraBase Compound ID HpfvA1V8th
InChI InChI=1S/C15H11F3O3S/c16-15(17,18)14(19,10-6-2-1-3-7-10)13-21-11-8-4-5-9-12(11)22(13)20/h1-9,13,19H/t13-,14+,22?/m1/s1
InChIKey MZMVJCFSKRXPMN-NSCHKWSVSA-N
Mol Weight 328.31 g/mol
Molecular Formula C15H11F3O3S
Exact Mass 328.0381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4j7AKSvgsOr
Name (2S,S(S))-2-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-PHENYLETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H11F3O3S
InChI InChI=1S/C15H11F3O3S/c16-15(17,18)14(19,10-6-2-1-3-7-10)13-21-11-8-4-5-9-12(11)22(13)20/h1-9,13,19H/t13-,14+,22?/m1/s1
InChIKey MZMVJCFSKRXPMN-NSCHKWSVSA-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 328.306 g/mol
Solvent DMSO-D6
Source File Reference UWMS22907