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

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3,5-bis(4-chlorophenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole
SpectraBase Compound ID HuR9sR485yK
InChI InChI=1S/C21H12Cl4N2/c22-15-5-1-13(2-6-15)20-12-21(14-3-7-16(23)8-4-14)27(26-20)17-9-10-18(24)19(25)11-17/h1-12H
InChIKey KWEJYIYDVHYWCP-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 DKEoiMdlbHD
Name 3,5-bis(4-Chlorophenyl)-1-(3,4-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)20-12-21(14-3-7-16(23)8-4-14)27(26-20)17-9-10-18(24)19(25)11-17/h1-12H
InChIKey KWEJYIYDVHYWCP-UHFFFAOYSA-N
Molecular Weight 434.153 g/mol
SMILES C=1C=C(C2=NN(C(=C2)C2=CC=C(C=C2)Cl)C=2C=C(Cl)C(=CC2)Cl)C=CC1Cl