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

View entire compound with spectra: 2 NMR

4-chloro-1-(2,4-dichlorophenyl)-3,5-bis(3-methylphenyl)-1H-pyrazole
SpectraBase Compound ID 79hRWH64jsG
InChI InChI=1S/C23H17Cl3N2/c1-14-5-3-7-16(11-14)22-21(26)23(17-8-4-6-15(2)12-17)28(27-22)20-10-9-18(24)13-19(20)25/h3-13H,1-2H3
InChIKey NDVPYKYTSPCBEM-UHFFFAOYSA-N
Mol Weight 427.76 g/mol
Molecular Formula C23H17Cl3N2
Exact Mass 426.045732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jkOt1H0HeK
Name 4-Chloro-1-(2,4-dichlorophenyl)-3,5-bis(3-methylphenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.045731655 u
Formula C23H17Cl3N2
InChI InChI=1S/C23H17Cl3N2/c1-14-5-3-7-16(11-14)22-21(26)23(17-8-4-6-15(2)12-17)28(27-22)20-10-9-18(24)13-19(20)25/h3-13H,1-2H3
InChIKey NDVPYKYTSPCBEM-UHFFFAOYSA-N
Molecular Weight 427.762 g/mol
SMILES C1=CC(=C(C=C1Cl)Cl)N1C(=C(Cl)C(=N1)C1=CC(=CC=C1)C)C1=CC(=CC=C1)C