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

View entire compound with spectra: 2 NMR

3,5-bis(3-bromophenyl)-4-chloro-1-(3-chlorophenyl)-1H-pyrazole
SpectraBase Compound ID 14X2eJ4tEHp
InChI InChI=1S/C21H12Br2Cl2N2/c22-15-6-1-4-13(10-15)20-19(25)21(14-5-2-7-16(23)11-14)27(26-20)18-9-3-8-17(24)12-18/h1-12H
InChIKey OCLBYAHEINWGBM-UHFFFAOYSA-N
Mol Weight 523.06 g/mol
Molecular Formula C21H12Br2Cl2N2
Exact Mass 519.87443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQQzW9sTY1H
Name 3,5-bis(3-Bromophenyl)-4-chloro-1-(3-chlorophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.874429794 u
Formula C21H12Br2Cl2N2
InChI InChI=1S/C21H12Br2Cl2N2/c22-15-6-1-4-13(10-15)20-19(25)21(14-5-2-7-16(23)11-14)27(26-20)18-9-3-8-17(24)12-18/h1-12H
InChIKey OCLBYAHEINWGBM-UHFFFAOYSA-N
Molecular Weight 523.055 g/mol
SMILES C=1C(=CC(=CC1)N1C(=C(Cl)C(=N1)C=1C=C(Br)C=CC1)C=1C=C(Br)C=CC1)Cl