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3,5-bis(4-Chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole

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

3,5-bis(4-Chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
SpectraBase Compound ID JqVzmpGzKLl
InChI InChI=1S/C22H13Cl2F3N2/c23-16-10-6-14(7-11-16)20-19(22(25,26)27)21(15-8-12-17(24)13-9-15)29(28-20)18-4-2-1-3-5-18/h1-13H
InChIKey DAGLFOZYZRHNBO-UHFFFAOYSA-N
Mol Weight 433.26 g/mol
Molecular Formula C22H13Cl2F3N2
Exact Mass 432.040788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaklYrVkhjG
Name 3,5-bis(4-Chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.040788316 u
Formula C22H13Cl2F3N2
InChI InChI=1S/C22H13Cl2F3N2/c23-16-10-6-14(7-11-16)20-19(22(25,26)27)21(15-8-12-17(24)13-9-15)29(28-20)18-4-2-1-3-5-18/h1-13H
InChIKey DAGLFOZYZRHNBO-UHFFFAOYSA-N
Molecular Weight 433.261 g/mol
SMILES C1(=C(N(C=2C=CC=CC2)N=C1C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl)C(F)(F)F