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3,5-bis(4-bromophenyl)-1-(2-fluorobenzyl)-4-methyl-1H-pyrazole

View entire compound with spectra: 2 NMR

3,5-bis(4-bromophenyl)-1-(2-fluorobenzyl)-4-methyl-1H-pyrazole
SpectraBase Compound ID BDHR55ioVgw
InChI InChI=1S/C23H17Br2FN2/c1-15-22(16-6-10-19(24)11-7-16)27-28(14-18-4-2-3-5-21(18)26)23(15)17-8-12-20(25)13-9-17/h2-13H,14H2,1H3
InChIKey VVWIMKUMXZDFBG-UHFFFAOYSA-N
Mol Weight 500.21 g/mol
Molecular Formula C23H17Br2FN2
Exact Mass 497.974253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YB9AzSoz0r
Name 3,5-bis(4-Bromophenyl)-1-(2-fluorobenzyl)-4-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.974252718 u
Formula C23H17Br2FN2
InChI InChI=1S/C23H17Br2FN2/c1-15-22(16-6-10-19(24)11-7-16)27-28(14-18-4-2-3-5-21(18)26)23(15)17-8-12-20(25)13-9-17/h2-13H,14H2,1H3
InChIKey VVWIMKUMXZDFBG-UHFFFAOYSA-N
Molecular Weight 500.209 g/mol
SMILES C=1C=CC(CN2N=C(C3=CC=C(C=C3)Br)C(=C2C=2C=CC(Br)=CC2)C)=C(F)C1