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3-[3-METHYL-1-(PHENYLCARBAMOYL)PYRAZOLE-4-CARBOXAMIDO]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER

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3-[3-METHYL-1-(PHENYLCARBAMOYL)PYRAZOLE-4-CARBOXAMIDO]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 2Fwj98o6Oul
InChI InChI=1S/C18H16N4O4S/c1-11-13(16(23)20-14-8-9-27-15(14)17(24)26-2)10-22(21-11)18(25)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,25)(H,20,23)
InChIKey VIXFNCDTYFKFOE-UHFFFAOYSA-N
Mol Weight 384.41 g/mol
Molecular Formula C18H16N4O4S
Exact Mass 384.089226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7uyBcY2hiCq
Name 3-[3-METHYL-1-(PHENYLCARBAMOYL)PYRAZOLE-4-CARBOXAMIDO]-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N4O4S
InChI InChI=1S/C18H16N4O4S/c1-11-13(16(23)20-14-8-9-27-15(14)17(24)26-2)10-22(21-11)18(25)19-12-6-4-3-5-7-12/h3-10H,1-2H3,(H,19,25)(H,20,23)
InChIKey VIXFNCDTYFKFOE-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 167-169C
Molecular Weight 384.42
Solvent CDCl3; Reference=TMS; Temperature 297K