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N-(2-benzoylphenyl)-4-chloro-1H-pyrazole-3-carboxamide

View entire compound with spectra: 2 NMR

N-(2-benzoylphenyl)-4-chloro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID KKW5LVyaqwY
InChI InChI=1S/C17H12ClN3O2/c18-13-10-19-21-15(13)17(23)20-14-9-5-4-8-12(14)16(22)11-6-2-1-3-7-11/h1-10H,(H,19,21)(H,20,23)
InChIKey ZOMVHBSPHHDVLA-UHFFFAOYSA-N
Mol Weight 325.76 g/mol
Molecular Formula C17H12ClN3O2
Exact Mass 325.061804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qpvPlXCT7N
Name N-(2-Benzoylphenyl)-4-chloro-1H-pyrazole-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.061804336 u
Formula C17H12ClN3O2
InChI InChI=1S/C17H12ClN3O2/c18-13-10-19-21-15(13)17(23)20-14-9-5-4-8-12(14)16(22)11-6-2-1-3-7-11/h1-10H,(H,19,21)(H,20,23)
InChIKey ZOMVHBSPHHDVLA-UHFFFAOYSA-N
Molecular Weight 325.755 g/mol
SMILES N(C=1C(C(=O)C2=CC=CC=C2)=CC=CC1)C(C1=NNC=C1Cl)=O