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

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

4,5-bis(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazole
SpectraBase Compound ID F3uMdvGIfun
InChI InChI=1S/C22H13Cl2F3N2/c23-16-10-6-14(7-11-16)19-20(15-8-12-17(24)13-9-15)29(18-4-2-1-3-5-18)28-21(19)22(25,26)27/h1-13H
InChIKey FYCFHMXWSQKXKT-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 2x0a7kddwu4
Name 4,5-bis(4-Chlorophenyl)-1-phenyl-3-(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)19-20(15-8-12-17(24)13-9-15)29(18-4-2-1-3-5-18)28-21(19)22(25,26)27/h1-13H
InChIKey FYCFHMXWSQKXKT-UHFFFAOYSA-N
Molecular Weight 433.261 g/mol
SMILES C=1(C(=C(C2=CC=C(C=C2)Cl)N(N1)C=1C=CC=CC1)C=1C=CC(=CC1)Cl)C(F)(F)F