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3-[(o-fluorobenzoyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester

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

3-[(o-fluorobenzoyl)carbamoyl]-N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thiocarbazimidic acid, methyl ester
SpectraBase Compound ID 36xejDWrVNI
InChI InChI=1S/C24H18F4N6O4S3/c1-39-23(31-30-22(36)29-21(35)16-5-2-3-6-17(16)25)33-41(37,38)15-10-8-14(9-11-15)34-18(19-7-4-12-40-19)13-20(32-34)24(26,27)28/h2-13H,1H3,(H,31,33)(H2,29,30,35,36)
InChIKey CZWANOKLXGQMOV-UHFFFAOYSA-N
Mol Weight 626.62 g/mol
Molecular Formula C24H18F4N6O4S3
Exact Mass 626.048779 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F0msTMMuI5H
Name 3-[(o-FLUOROBENZOYL)CARBAMOYL]-N-{{p-[5-(2-THIENYL)-3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]PHENYL}SULFONYL}THIOCARBAZIMIDIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18F4N6O4S3
InChI InChI=1S/C24H18F4N6O4S3/c1-39-23(31-30-22(36)29-21(35)16-5-2-3-6-17(16)25)33-41(37,38)15-10-8-14(9-11-15)34-18(19-7-4-12-40-19)13-20(32-34)24(26,27)28/h2-13H,1H3,(H,31,33)(H2,29,30,35,36)
InChIKey CZWANOKLXGQMOV-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 164-166C
Molecular Weight 626.63
Solvent CDCl3; Reference=TMS; Temperature 297K