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5-Hydroxy-3-(S,S-dimethylsulfoximido)-5-(trifluoromethyl)-4,5-dihydro-1H-1-(nicotinoylpyrazole)
SpectraBase Compound ID DWFcq6A3To9
InChI InChI=1S/C12H13F3N4O3S/c1-23(2,22)18-9-6-11(21,12(13,14)15)19(17-9)10(20)8-4-3-5-16-7-8/h3-5,7,21H,6H2,1-2H3
InChIKey LXZXJKHOJRNRKH-UHFFFAOYSA-N
Mol Weight 350.32 g/mol
Molecular Formula C12H13F3N4O3S
Exact Mass 350.066046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B2hiL88hxD7
Name 5-HYDROXY-3-(S,S-DIMETHYLSULFOXIMIDO)-5-TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-1-(NICOTINOYLPYRAZOLE)
Compound Number 4 E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3N4O3S
InChI InChI=1S/C12H13F3N4O3S/c1-23(2,22)18-9-6-11(21,12(13,14)15)19(17-9)10(20)8-4-3-5-16-7-8/h3-5,7,21H,6H2,1-2H3
InChIKey LXZXJKHOJRNRKH-UHFFFAOYSA-N
Literature Reference Author H.G.BONACORSO,R.P.VEZZOSI,I.R.RODTIGUES,R.L.DREKENER,L.M.F.P ORTE,A.F.C.FLORES
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,1370(2009)
Literature Reference DOI 10.1590/s0103-50532009000700024
Molecular Weight 350.315 g/mol
Source File Reference UWBT6233