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N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-pyrrolidinecarboximidic acid, methyl ester
SpectraBase Compound ID 5ogiR7TDFnE
InChI InChI=1S/C20H19F3N4O2S3/c1-30-19(26-10-2-3-11-26)25-32(28,29)15-8-6-14(7-9-15)27-16(17-5-4-12-31-17)13-18(24-27)20(21,22)23/h4-9,12-13H,2-3,10-11H2,1H3/b25-19-
InChIKey XNOVHHIDYPOWLH-PLRJNAJWSA-N
Mol Weight 500.57 g/mol
Molecular Formula C20H19F3N4O2S3
Exact Mass 500.062224 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQJoaFdw87m
Name N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-pyrrolidinecarboximidic acid, methyl ester
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Formula C20H19F3N4O2S3
InChI InChI=1S/C20H19F3N4O2S3/c1-30-19(26-10-2-3-11-26)25-32(28,29)15-8-6-14(7-9-15)27-16(17-5-4-12-31-17)13-18(24-27)20(21,22)23/h4-9,12-13H,2-3,10-11H2,1H3/b25-19-
InChIKey XNOVHHIDYPOWLH-PLRJNAJWSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56042M
Solvent CDCl3