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3-(2',4'-Dichlorophenyl)-1-(p-nitrophenyl)-4-(p'-methylphenyl)-1H-pyrazole-5-carbonitrile
SpectraBase Compound ID 6YACiRZ43pI
InChI InChI=1S/C23H14Cl2N4O2/c1-14-2-4-15(5-3-14)22-21(13-26)28(17-7-9-18(10-8-17)29(30)31)27-23(22)19-11-6-16(24)12-20(19)25/h2-12H,1H3
InChIKey XRDCNUSTMCQPHT-UHFFFAOYSA-N
Mol Weight 449.3 g/mol
Molecular Formula C23H14Cl2N4O2
Exact Mass 448.049381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1p6jEEdVgm
Name 3-(2',4'-Dichlorophenyl)-1-(p-nitrophenyl)-4-(p'-methylphenyl)-1H-pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14Cl2N4O2
InChI InChI=1S/C23H14Cl2N4O2/c1-14-2-4-15(5-3-14)22-21(13-26)28(17-7-9-18(10-8-17)29(30)31)27-23(22)19-11-6-16(24)12-20(19)25/h2-12H,1H3
InChIKey XRDCNUSTMCQPHT-UHFFFAOYSA-N
Molecular Weight 449.297 g/mol
SMILES c1([n](nc(c1-c1ccc(cc1)C)-c1c(cc(cc1)Cl)Cl)-c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-0gxt-1102900000-d6e34f8dcbe1d0ec05d4
Source of Spectrum D9-20-976-9b
Synonyms 5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-2-(4-nitrophenyl)-3-pyrazolecarbonitrile 5-(2,4-dichlorophenyl)-4-(4-methylphenyl)-2-(4-nitrophenyl)pyrazole-3-carbonitrile
Wiley ID 1695493