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

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

4-methyl-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}-1-piperidinecarboximidic acid
SpectraBase Compound ID 2BRNdbGr6Ro
InChI InChI=1S/C21H23F3N6O2S2/c1-14-8-10-29(11-9-14)20(26-25)28-34(31,32)16-6-4-15(5-7-16)30-17(18-3-2-12-33-18)13-19(27-30)21(22,23)24/h2-7,12-14H,8-11,25H2,1H3,(H,26,28)
InChIKey SGIKMOKUFSWWHH-UHFFFAOYSA-N
Mol Weight 512.57 g/mol
Molecular Formula C21H23F3N6O2S2
Exact Mass 512.127601 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CG7Kbqv4rKC
Name 4-METHYL-N-{{p-[5-(2-THIENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]PHENYL}SULFONYL}-1-PIPERIDINECARBOXIMIDIC ACID
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23F3N6O2S2
InChI InChI=1S/C21H23F3N6O2S2/c1-14-8-10-29(11-9-14)20(26-25)28-34(31,32)16-6-4-15(5-7-16)30-17(18-3-2-12-33-18)13-19(27-30)21(22,23)24/h2-7,12-14H,8-11,25H2,1H3,(H,26,28)
InChIKey SGIKMOKUFSWWHH-UHFFFAOYSA-N
Melting Point 104-105C
Molecular Weight 512.58
Technique KBr WAFER