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(2S,3S)-2-HYDROXY-2-TRIFLUOROMETHYL-3-[(4-METHYLPHENYL)-SULFINYL]-6-OXO-HEPTAN-1-OL
SpectraBase Compound ID 2fjlZWiExv9
InChI InChI=1S/C15H19F3O4S/c1-10-3-6-12(7-4-10)23(22)13(8-5-11(2)20)14(21,9-19)15(16,17)18/h3-4,6-7,13,19,21H,5,8-9H2,1-2H3/t13-,14+,23?/m0/s1
InChIKey BQJSDXMKWNHZFI-FTAULWBTSA-N
Mol Weight 352.37 g/mol
Molecular Formula C15H19F3O4S
Exact Mass 352.095615 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKvLpJIVcrd
Name (2S,3S)-2-HYDROXY-2-TRIFLUOROMETHYL-3-[(4-METHYLPHENYL)-SULFINYL]-6-OXO-HEPTAN-1-OL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19F3O4S
InChI InChI=1S/C15H19F3O4S/c1-10-3-6-12(7-4-10)23(22)13(8-5-11(2)20)14(21,9-19)15(16,17)18/h3-4,6-7,13,19,21H,5,8-9H2,1-2H3/t13-,14+,23?/m0/s1
InChIKey BQJSDXMKWNHZFI-FTAULWBTSA-N
Literature Reference Author P.AMBROSI,A.ARNONE,P.BRAVO,L.BRUCHE,A.D.CRISTOFARO,V.FRANCAR DI,M.FRIGERIO,E.GATT
Literature Reference Citation J.ORG.CHEM.,66,8336(2001)
Literature Reference DOI 10.1021/jo0055640
Solvent CDCl3
Source File Reference UWLU29078