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

View entire compound with spectra: 2 NMR

3,5-bis(4-bromophenyl)-1-(4-methoxybenzyl)-4-methyl-1H-pyrazole
SpectraBase Compound ID 11BAY9LLg6R
InChI InChI=1S/C24H20Br2N2O/c1-16-23(18-5-9-20(25)10-6-18)27-28(15-17-3-13-22(29-2)14-4-17)24(16)19-7-11-21(26)12-8-19/h3-14H,15H2,1-2H3
InChIKey CRWXNUUQGLZHRW-UHFFFAOYSA-N
Mol Weight 512.25 g/mol
Molecular Formula C24H20Br2N2O
Exact Mass 509.994239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iIeqIEcWzd
Name 3,5-bis(4-Bromophenyl)-1-(4-methoxybenzyl)-4-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 509.994239271 u
Formula C24H20Br2N2O
InChI InChI=1S/C24H20Br2N2O/c1-16-23(18-5-9-20(25)10-6-18)27-28(15-17-3-13-22(29-2)14-4-17)24(16)19-7-11-21(26)12-8-19/h3-14H,15H2,1-2H3
InChIKey CRWXNUUQGLZHRW-UHFFFAOYSA-N
Molecular Weight 512.245 g/mol
SMILES COC1=CC=C(CN2N=C(C3=CC=C(C=C3)Br)C(=C2C=2C=CC(Br)=CC2)C)C=C1