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4-(4-Chlorophenyl)-N,1,3-triphenyl-1H-pyrazole-5-carboxamide

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4-(4-Chlorophenyl)-N,1,3-triphenyl-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 3SoYIC9SwvT
InChI InChI=1S/C28H20ClN3O/c29-22-18-16-20(17-19-22)25-26(21-10-4-1-5-11-21)31-32(24-14-8-3-9-15-24)27(25)28(33)30-23-12-6-2-7-13-23/h1-19H,(H,30,33)
InChIKey ZCRSXTWNDKCFKH-UHFFFAOYSA-N
Mol Weight 449.94 g/mol
Molecular Formula C28H20ClN3O
Exact Mass 449.12949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaIlcg4QyLW
Name 4-(4-Chlorophenyl)-N,1,3-triphenyl-1H-pyrazole-5-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.129489975 u
Formula C28H20ClN3O
InChI InChI=1S/C28H20ClN3O/c29-22-18-16-20(17-19-22)25-26(21-10-4-1-5-11-21)31-32(24-14-8-3-9-15-24)27(25)28(33)30-23-12-6-2-7-13-23/h1-19H,(H,30,33)
InChIKey ZCRSXTWNDKCFKH-UHFFFAOYSA-N
Molecular Weight 449.941 g/mol
SMILES C=1(N(N=C(C1C=1C=CC(=CC1)Cl)C1=CC=CC=C1)C=1C=CC=CC1)C(NC1=CC=CC=C1)=O