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3-[1-(p-chlorobenzoyl)-3-methylpyrazole-4-carboxamido]-2-thiophenecarboxylic acid, methyl ester

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

3-[1-(p-chlorobenzoyl)-3-methylpyrazole-4-carboxamido]-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID BJ4GJ1o2ULu
InChI InChI=1S/C18H14ClN3O4S/c1-10-13(16(23)20-14-7-8-27-15(14)18(25)26-2)9-22(21-10)17(24)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,23)
InChIKey ZLOUZZFKABEZBG-UHFFFAOYSA-N
Mol Weight 403.84 g/mol
Molecular Formula C18H14ClN3O4S
Exact Mass 403.039355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L4rWUSVn3im
Name 3-[1-(p-CHLOROBENZOYL)-3-METHYLPYRAZOLE-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 C18H14ClN3O4S
InChI InChI=1S/C18H14ClN3O4S/c1-10-13(16(23)20-14-7-8-27-15(14)18(25)26-2)9-22(21-10)17(24)11-3-5-12(19)6-4-11/h3-9H,1-2H3,(H,20,23)
InChIKey ZLOUZZFKABEZBG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 200-202C
Molecular Weight 403.85
Solvent CDCl3; Reference=TMS; Temperature 297K