For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(4E)-5-(4-chlorobenzoyl)-4-[(4-methylphenyl)imino]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

View entire compound with spectra: 2 NMR

(4E)-5-(4-chlorobenzoyl)-4-[(4-methylphenyl)imino]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID JHHCLCm0jAO
InChI InChI=1S/C23H16ClN3O2/c1-15-7-13-18(14-8-15)25-21-20(22(28)16-9-11-17(24)12-10-16)26-27(23(21)29)19-5-3-2-4-6-19/h2-14H,1H3/b25-21+
InChIKey INHZXGZIIQNMCH-NJNXFGOHSA-N
Mol Weight 401.85 g/mol
Molecular Formula C23H16ClN3O2
Exact Mass 401.093104 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 19sMDt4upib
Name (4E)-5-(4-Chlorobenzoyl)-4-[(4-methylphenyl)imino]-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.093104465 u
Formula C23H16ClN3O2
InChI InChI=1S/C23H16ClN3O2/c1-15-7-13-18(14-8-15)25-21-20(22(28)16-9-11-17(24)12-10-16)26-27(23(21)29)19-5-3-2-4-6-19/h2-14H,1H3/b25-21+
InChIKey INHZXGZIIQNMCH-NJNXFGOHSA-N
Molecular Weight 401.853 g/mol
SMILES C=1(\C(C(=O)N(N1)C1=CC=CC=C1)=N/C1=CC=C(C=C1)C)C(C1=CC=C(C=C1)Cl)=O