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

View entire compound with spectra: 2 NMR

3,5-bis(4-bromophenyl)-1-cyclopentyl-4-methyl-1H-pyrazole
SpectraBase Compound ID 1QDDKzAk75O
InChI InChI=1S/C21H20Br2N2/c1-14-20(15-6-10-17(22)11-7-15)24-25(19-4-2-3-5-19)21(14)16-8-12-18(23)13-9-16/h6-13,19H,2-5H2,1H3
InChIKey HKQUSJYAINRKTD-UHFFFAOYSA-N
Mol Weight 460.21 g/mol
Molecular Formula C21H20Br2N2
Exact Mass 457.999325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7apz8AIEr8
Name 3,5-bis(4-Bromophenyl)-1-cyclopentyl-4-methyl-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.999324652 u
Formula C21H20Br2N2
InChI InChI=1S/C21H20Br2N2/c1-14-20(15-6-10-17(22)11-7-15)24-25(19-4-2-3-5-19)21(14)16-8-12-18(23)13-9-16/h6-13,19H,2-5H2,1H3
InChIKey HKQUSJYAINRKTD-UHFFFAOYSA-N
Molecular Weight 460.213 g/mol
SMILES C1C(CCC1)N1N=C(C2=CC=C(C=C2)Br)C(=C1C=1C=CC(Br)=CC1)C