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

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

3,5-bis(4-bromophenyl)-1-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID BCa0GvdaY6w
InChI InChI=1S/C21H15Br2ClN2/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/h1-12,21H,13H2
InChIKey NLXNYSWFFVPBTO-UHFFFAOYSA-N
Mol Weight 490.63 g/mol
Molecular Formula C21H15Br2ClN2
Exact Mass 487.929052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMIpI6ScZuz
Name 3,5-bis(4-Bromophenyl)-1-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.929052191 u
Formula C21H15Br2ClN2
InChI InChI=1S/C21H15Br2ClN2/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/h1-12,21H,13H2
InChIKey NLXNYSWFFVPBTO-UHFFFAOYSA-N
Molecular Weight 490.626 g/mol
SMILES C=1C=C(C2N(N=C(C3=CC=C(Br)C=C3)C2)C2=CC=C(C=C2)Cl)C=CC1Br