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

View entire compound with spectra: 2 NMR

3,5-bis(4-bromophenyl)-1-(4-fluorophenyl)-4-methyl-1H-pyrazole
SpectraBase Compound ID 6U0v1Ieh4pY
InChI InChI=1S/C22H15Br2FN2/c1-14-21(15-2-6-17(23)7-3-15)26-27(20-12-10-19(25)11-13-20)22(14)16-4-8-18(24)9-5-16/h2-13H,1H3
InChIKey BQDVYDJQMOTBPL-UHFFFAOYSA-N
Mol Weight 486.18 g/mol
Molecular Formula C22H15Br2FN2
Exact Mass 483.958603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFWKKRWjakr
Name 3,5-bis(4-Bromophenyl)-1-(4-fluorophenyl)-4-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.958602654 u
Formula C22H15Br2FN2
InChI InChI=1S/C22H15Br2FN2/c1-14-21(15-2-6-17(23)7-3-15)26-27(20-12-10-19(25)11-13-20)22(14)16-4-8-18(24)9-5-16/h2-13H,1H3
InChIKey BQDVYDJQMOTBPL-UHFFFAOYSA-N
Molecular Weight 486.182 g/mol
SMILES C=1C=C(C=CC1F)N1N=C(C2=CC=C(C=C2)Br)C(=C1C=1C=CC(Br)=CC1)C