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

View entire compound with spectra: 2 NMR

3,5-bis(4-bromophenyl)-1-(4-chlorophenyl)-1H-pyrazole
SpectraBase Compound ID 166UcaO98Bk
InChI InChI=1S/C21H13Br2ClN2/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)19-11-9-18(24)10-12-19/h1-13H
InChIKey DIXMUMXBVZYWNF-UHFFFAOYSA-N
Mol Weight 488.61 g/mol
Molecular Formula C21H13Br2ClN2
Exact Mass 485.913402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pIAyoDtMvd
Name 3,5-bis(4-Bromophenyl)-1-(4-chlorophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.913402127 u
Formula C21H13Br2ClN2
InChI InChI=1S/C21H13Br2ClN2/c22-16-5-1-14(2-6-16)20-13-21(15-3-7-17(23)8-4-15)26(25-20)19-11-9-18(24)10-12-19/h1-13H
InChIKey DIXMUMXBVZYWNF-UHFFFAOYSA-N
Molecular Weight 488.610 g/mol
SMILES C=1C=C(C=CC1Cl)N1N=C(C2=CC=C(C=C2)Br)C=C1C=1C=CC(Br)=CC1