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1-(2-Bromo-phenyl)-3,5-bis-(4-chloro-phenyl)-1H-pyrazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(2-Bromo-phenyl)-3,5-bis-(4-chloro-phenyl)-1H-pyrazole
SpectraBase Compound ID BJko4FscD5O
InChI InChI=1S/C21H13BrCl2N2/c22-18-3-1-2-4-20(18)26-21(15-7-11-17(24)12-8-15)13-19(25-26)14-5-9-16(23)10-6-14/h1-13H
InChIKey UWNQNGGTGLWERK-UHFFFAOYSA-N
Mol Weight 444.16 g/mol
Molecular Formula C21H13BrCl2N2
Exact Mass 441.963917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGKl1vhvaNP
Name 1-(2-Bromo-phenyl)-3,5-bis-(4-chloro-phenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.963916827 u
Formula C21H13BrCl2N2
InChI InChI=1S/C21H13BrCl2N2/c22-18-3-1-2-4-20(18)26-21(15-7-11-17(24)12-8-15)13-19(25-26)14-5-9-16(23)10-6-14/h1-13H
InChIKey UWNQNGGTGLWERK-UHFFFAOYSA-N
Molecular Weight 444.159 g/mol
SMILES C=1C=CC(N2N=C(C=3C=CC(=CC3)Cl)C=C2C=2C=CC(=CC2)Cl)=C(Br)C1