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3,5-bis(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole

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

3,5-bis(4-chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole
SpectraBase Compound ID 3JFVcyXxxsO
InChI InChI=1S/C21H12Cl4N2/c22-15-5-1-13(2-6-15)19-12-21(14-3-7-16(23)8-4-14)27(26-19)20-10-9-17(24)11-18(20)25/h1-12H
InChIKey ZPSAISUFUMFXLE-UHFFFAOYSA-N
Mol Weight 434.2 g/mol
Molecular Formula C21H12Cl4N2
Exact Mass 431.975459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hq1j8tfZPtk
Name 3,5-bis(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 431.975459194 u
Formula C21H12Cl4N2
InChI InChI=1S/C21H12Cl4N2/c22-15-5-1-13(2-6-15)19-12-21(14-3-7-16(23)8-4-14)27(26-19)20-10-9-17(24)11-18(20)25/h1-12H
InChIKey ZPSAISUFUMFXLE-UHFFFAOYSA-N
Molecular Weight 434.153 g/mol
SMILES C=1C(Cl)=CC=C(C2=NN(C(=C2)C=2C=CC(Cl)=CC2)C2=C(C=C(C=C2)Cl)Cl)C1