For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3,5-bis(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole
SpectraBase Compound ID Gym6WnBC0U4
InChI InChI=1S/C22H13Cl2F3N2/c23-17-8-4-14(5-9-17)20-13-21(15-6-10-18(24)11-7-15)29(28-20)19-3-1-2-16(12-19)22(25,26)27/h1-13H
InChIKey LFOYKILLBORDCB-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8KlSGcJNseQ
Name 3,5-bis(4-Chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-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/c23-17-8-4-14(5-9-17)20-13-21(15-6-10-18(24)11-7-15)29(28-20)19-3-1-2-16(12-19)22(25,26)27/h1-13H
InChIKey LFOYKILLBORDCB-UHFFFAOYSA-N
Molecular Weight 433.261 g/mol
SMILES C=1C=C(N2N=C(C3=CC=C(Cl)C=C3)C=C2C2=CC=C(Cl)C=C2)C=C(C(F)(F)F)C1