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5-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1-(4-methyl-2-nitro-phenyl)-4,5-dihydro-1H-pyrazole

View entire compound with spectra: 1 MS (GC)

5-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1-(4-methyl-2-nitro-phenyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID LDxeSOH46sf
InChI InChI=1S/C22H17BrClN3O2/c1-14-2-11-20(22(12-14)27(28)29)26-21(16-3-7-17(23)8-4-16)13-19(25-26)15-5-9-18(24)10-6-15/h2-12,21H,13H2,1H3
InChIKey XQZYPCYJJNPQDQ-UHFFFAOYSA-N
Mol Weight 470.75 g/mol
Molecular Formula C22H17BrClN3O2
Exact Mass 469.019267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1zxbNOu892c
Name 5-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-1-(4-methyl-2-nitro-phenyl)-4,5-dihydro-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17BrClN3O2
InChI InChI=1S/C22H17BrClN3O2/c1-14-2-11-20(22(12-14)27(28)29)26-21(16-3-7-17(23)8-4-16)13-19(25-26)15-5-9-18(24)10-6-15/h2-12,21H,13H2,1H3
InChIKey XQZYPCYJJNPQDQ-UHFFFAOYSA-N
Molecular Weight 470.754 g/mol
SMILES Cc1cc(c(N2N=C(c3ccc(Cl)cc3)CC2c2ccc(cc2)Br)cc1)N(=O)=O
SPLASH splash10-00di-1539000000-132a328839738fcae82f
Wiley ID 1437247