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

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

3,5-bis(4-bromophenyl)-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID CFrintXn4Ic
InChI InChI=1S/C22H18Br2N2/c1-15-2-12-20(13-3-15)26-22(17-6-10-19(24)11-7-17)14-21(25-26)16-4-8-18(23)9-5-16/h2-13,22H,14H2,1H3
InChIKey QTIQJCWCJFYYNO-UHFFFAOYSA-N
Mol Weight 470.21 g/mol
Molecular Formula C22H18Br2N2
Exact Mass 467.983675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDb07SFGy2m
Name 3,5-bis(4-Bromophenyl)-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.983674588 u
Formula C22H18Br2N2
InChI InChI=1S/C22H18Br2N2/c1-15-2-12-20(13-3-15)26-22(17-6-10-19(24)11-7-17)14-21(25-26)16-4-8-18(23)9-5-16/h2-13,22H,14H2,1H3
InChIKey QTIQJCWCJFYYNO-UHFFFAOYSA-N
Molecular Weight 470.208 g/mol
SMILES CC1=CC=C(N2N=C(C3=CC=C(C=C3)Br)CC2C=2C=CC(Br)=CC2)C=C1