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N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester
SpectraBase Compound ID EvDZ3AjLPy3
InChI InChI=1S/C21H21F3N4O2S3/c1-31-20(27-11-3-2-4-12-27)26-33(29,30)16-9-7-15(8-10-16)28-17(18-6-5-13-32-18)14-19(25-28)21(22,23)24/h5-10,13-14H,2-4,11-12H2,1H3/b26-20-
InChIKey RUFRNILTSVTBSX-QOMWVZHYSA-N
Mol Weight 514.6 g/mol
Molecular Formula C21H21F3N4O2S3
Exact Mass 514.077874 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBo9CHioiVP
Name N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester
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Formula C21H21F3N4O2S3
InChI InChI=1S/C21H21F3N4O2S3/c1-31-20(27-11-3-2-4-12-27)26-33(29,30)16-9-7-15(8-10-16)28-17(18-6-5-13-32-18)14-19(25-28)21(22,23)24/h5-10,13-14H,2-4,11-12H2,1H3/b26-20-
InChIKey RUFRNILTSVTBSX-QOMWVZHYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56040M
Solvent CDCl3