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(4Z)-4-{2-[(2-chlorobenzyl)oxy]benzylidene}-2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 5nok8wk4QKn
InChI InChI=1S/C24H18Cl2N2O2/c1-16-19(24(29)28(27-16)22-12-6-5-11-21(22)26)14-17-8-3-7-13-23(17)30-15-18-9-2-4-10-20(18)25/h2-14H,15H2,1H3/b19-14-
InChIKey LCAVIDKLGHBRJA-RGEXLXHISA-N
Mol Weight 437.33 g/mol
Molecular Formula C24H18Cl2N2O2
Exact Mass 436.074533 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLBHkq6Fyau
Name (4Z)-4-{2-[(2-Chlorobenzyl)oxy]benzylidene}-2-(2-chlorophenyl)-5-methyl-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 436.074533226 u
Formula C24H18Cl2N2O2
InChI InChI=1S/C24H18Cl2N2O2/c1-16-19(24(29)28(27-16)22-12-6-5-11-21(22)26)14-17-8-3-7-13-23(17)30-15-18-9-2-4-10-20(18)25/h2-14H,15H2,1H3/b19-14-
InChIKey LCAVIDKLGHBRJA-RGEXLXHISA-N
Molecular Weight 437.326 g/mol
SMILES C=1C=CC(N2C(\C(=C/C3=C(OCC=4C(Cl)=CC=CC4)C=CC=C3)C(=N2)C)=O)=C(Cl)C1