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4-methyl-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

4-methyl-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester
SpectraBase Compound ID iiPurJrguN
InChI InChI=1S/C22H23F3N4O2S3/c1-15-9-11-28(12-10-15)21(32-2)27-34(30,31)17-7-5-16(6-8-17)29-18(19-4-3-13-33-19)14-20(26-29)22(23,24)25/h3-8,13-15H,9-12H2,1-2H3/b27-21-
InChIKey OBZQOXWJMLXRQS-MEFGMAGPSA-N
Mol Weight 528.63 g/mol
Molecular Formula C22H23F3N4O2S3
Exact Mass 528.093524 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHg1i8oF7MD
Name 4-methyl-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23F3N4O2S3
InChI InChI=1S/C22H23F3N4O2S3/c1-15-9-11-28(12-10-15)21(32-2)27-34(30,31)17-7-5-16(6-8-17)29-18(19-4-3-13-33-19)14-20(26-29)22(23,24)25/h3-8,13-15H,9-12H2,1-2H3/b27-21-
InChIKey OBZQOXWJMLXRQS-MEFGMAGPSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56041M
Solvent CDCl3