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

*Links on SpectraBase are not permalinks.

4-bromo-3,5-bis(4-fluorophenyl)-1-(4-methoxybenzyl)-1H-pyrazole

View entire compound with spectra: 2 NMR

4-bromo-3,5-bis(4-fluorophenyl)-1-(4-methoxybenzyl)-1H-pyrazole
SpectraBase Compound ID D2grZftunv1
InChI InChI=1S/C23H17BrF2N2O/c1-29-20-12-2-15(3-13-20)14-28-23(17-6-10-19(26)11-7-17)21(24)22(27-28)16-4-8-18(25)9-5-16/h2-13H,14H2,1H3
InChIKey RFXLPYWFKNPPHU-UHFFFAOYSA-N
Mol Weight 455.3 g/mol
Molecular Formula C23H17BrF2N2O
Exact Mass 454.049233 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 4E9EtlRYjjS
Name 4-Bromo-3,5-bis(4-fluorophenyl)-1-(4-methoxybenzyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.049232500 u
Formula C23H17BrF2N2O
InChI InChI=1S/C23H17BrF2N2O/c1-29-20-12-2-15(3-13-20)14-28-23(17-6-10-19(26)11-7-17)21(24)22(27-28)16-4-8-18(25)9-5-16/h2-13H,14H2,1H3
InChIKey RFXLPYWFKNPPHU-UHFFFAOYSA-N
Molecular Weight 455.303 g/mol
SMILES COC1=CC=C(CN2C(=C(Br)C(=N2)C=2C=CC(=CC2)F)C2=CC=C(F)C=C2)C=C1