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(4Z)-4-(2-chlorobenzylidene)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4Z)-4-(2-chlorobenzylidene)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one
SpectraBase Compound ID 7oJSudXBTto
InChI InChI=1S/C17H12ClN3O3/c1-11-15(10-12-4-2-3-5-16(12)18)17(22)20(19-11)13-6-8-14(9-7-13)21(23)24/h2-10H,1H3/b15-10-
InChIKey QYEDLRLTLIYKBY-GDNBJRDFSA-N
Mol Weight 341.75 g/mol
Molecular Formula C17H12ClN3O3
Exact Mass 341.056719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K27elFwXfs1
Name (4Z)-4-(2-Chlorobenzylidene)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.056718955 u
Formula C17H12ClN3O3
InChI InChI=1S/C17H12ClN3O3/c1-11-15(10-12-4-2-3-5-16(12)18)17(22)20(19-11)13-6-8-14(9-7-13)21(23)24/h2-10H,1H3/b15-10-
InChIKey QYEDLRLTLIYKBY-GDNBJRDFSA-N
Molecular Weight 341.754 g/mol
SMILES C1(\C(C(=NN1C1=CC=C(N(=O)=O)C=C1)C)=C/C1=C(Cl)C=CC=C1)=O