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3-(S,S-Dimethylsulfoximido)-5-(trifluoromethyl)-1H-pyrazole
SpectraBase Compound ID 1K3IAnBcqqY
InChI InChI=1S/C6H8F3N3OS/c1-14(2,13)12-5-3-4(10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKey WLSFUPHNZBKOMK-UHFFFAOYSA-N
Mol Weight 227.21 g/mol
Molecular Formula C6H8F3N3OS
Exact Mass 227.034018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4jO1SUTTmR
Name 3-(S,S-DIMETHYLSULFOXIMIDO)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8F3N3OS
InChI InChI=1S/C6H8F3N3OS/c1-14(2,13)12-5-3-4(10-11-5)6(7,8)9/h3H,1-2H3,(H,10,11)
InChIKey WLSFUPHNZBKOMK-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 227.204 g/mol
Source File Reference UWBT6234