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(4Z)-2-(4-chlorophenyl)-4-[(2,3-dichloroanilino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID CnO5btxfrNV
InChI InChI=1S/C17H12Cl3N3O/c1-10-13(9-21-15-4-2-3-14(19)16(15)20)17(24)23(22-10)12-7-5-11(18)6-8-12/h2-9,21H,1H3/b13-9-
InChIKey QNPZMTWGWYEHNG-LCYFTJDESA-N
Mol Weight 380.66 g/mol
Molecular Formula C17H12Cl3N3O
Exact Mass 379.004595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jcKcuZPxJv
Name (4Z)-2-(4-Chlorophenyl)-4-[(2,3-dichloroanilino)methylene]-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 379.004595117 u
Formula C17H12Cl3N3O
InChI InChI=1S/C17H12Cl3N3O/c1-10-13(9-21-15-4-2-3-14(19)16(15)20)17(24)23(22-10)12-7-5-11(18)6-8-12/h2-9,21H,1H3/b13-9-
InChIKey QNPZMTWGWYEHNG-LCYFTJDESA-N
Molecular Weight 380.662 g/mol
SMILES N(\C=C/1C(N(N=C1C)C1=CC=C(C=C1)Cl)=O)C1=C(C(Cl)=CC=C1)Cl