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3-(2',4'-Dichlorophenyl)-1-(p-nitrophenyl)-4-(p'-chlorophenyl)-1H-pyrazole-5-carbonitrile
SpectraBase Compound ID C7TY61OnyjW
InChI InChI=1S/C22H11Cl3N4O2/c23-14-3-1-13(2-4-14)21-20(12-26)28(16-6-8-17(9-7-16)29(30)31)27-22(21)18-10-5-15(24)11-19(18)25/h1-11H
InChIKey CQSCUGAYHVKLBH-UHFFFAOYSA-N
Mol Weight 469.72 g/mol
Molecular Formula C22H11Cl3N4O2
Exact Mass 467.994759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9MudQBd9QR
Name 3-(2',4'-Dichlorophenyl)-1-(p-nitrophenyl)-4-(p'-chlorophenyl)-1H-pyrazole-5-carbonitrile
Alternate Name(s) 4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-2-(4-nitrophenyl)-3-pyrazolecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H11Cl3N4O2
InChI InChI=1S/C22H11Cl3N4O2/c23-14-3-1-13(2-4-14)21-20(12-26)28(16-6-8-17(9-7-16)29(30)31)27-22(21)18-10-5-15(24)11-19(18)25/h1-11H
InChIKey CQSCUGAYHVKLBH-UHFFFAOYSA-N
Molecular Weight 469.715 g/mol
SMILES c1([n](nc(c1-c1ccc(cc1)Cl)-c1c(cc(cc1)Cl)Cl)-c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-0v6r-7222900000-4635ef806111419b4447
Source of Spectrum D9-20-977-9d
Wiley ID 1695489