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4-(p-Chlorobenzylidene)-1-(m-chlorophneyl)-3-methyl-2-pyrazolin-5-one

View entire compound with spectra: 2 NMR, and 1 FTIR

4-(p-Chlorobenzylidene)-1-(m-chlorophneyl)-3-methyl-2-pyrazolin-5-one
SpectraBase Compound ID DENTo34ffCy
InChI InChI=1S/C17H12Cl2N2O/c1-11-16(9-12-5-7-13(18)8-6-12)17(22)21(20-11)15-4-2-3-14(19)10-15/h2-10H,1H3
InChIKey ZMPJITYPFJMWST-UHFFFAOYSA-N
Mol Weight 331.2 g/mol
Molecular Formula C17H12Cl2N2O
Exact Mass 330.032668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lhqA1vbWi1
Name 4-(p-Chlorobenzylidene)-1-(m-chlorophneyl)-3-methyl-2-pyrazolin-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.032668413 u
Formula C17H12Cl2N2O
InChI InChI=1S/C17H12Cl2N2O/c1-11-16(9-12-5-7-13(18)8-6-12)17(22)21(20-11)15-4-2-3-14(19)10-15/h2-10H,1H3
InChIKey ZMPJITYPFJMWST-UHFFFAOYSA-N
Molecular Weight 331.202 g/mol
SMILES C=1C(=CC=C(C1)Cl)C=C1C(=NN(C1=O)C=1C=CC=C(C1)Cl)C