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1H-Pyrazole, 5-(4-chlorophenyl)-1-(2,4-dinitrophenyl)-3-phenyl-
SpectraBase Compound ID 2w3Xz6r1XB8
InChI InChI=1S/C21H13ClN4O4/c22-16-8-6-15(7-9-16)20-13-18(14-4-2-1-3-5-14)23-24(20)19-11-10-17(25(27)28)12-21(19)26(29)30/h1-13H
InChIKey ZCHAPAMSXDBMOJ-UHFFFAOYSA-N
Mol Weight 420.81 g/mol
Molecular Formula C21H13ClN4O4
Exact Mass 420.062533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eFkn3cPgGk
Name 1H-Pyrazole, 5-(4-chlorophenyl)-1-(2,4-dinitrophenyl)-3-phenyl-
Alternate Name(s) 1-(2,4-Dinitrophenyl)-3-phenyl-5-(p-chlorophenyl)pyrazole 5-(4-Chlorophenyl)-1-(2,4-dinitrophenyl)-3-phenyl-1H-pyrazole
CAS Registry Number 113685-72-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13ClN4O4
InChI InChI=1S/C21H13ClN4O4/c22-16-8-6-15(7-9-16)20-13-18(14-4-2-1-3-5-14)23-24(20)19-11-10-17(25(27)28)12-21(19)26(29)30/h1-13H
InChIKey ZCHAPAMSXDBMOJ-UHFFFAOYSA-N
Molecular Weight 420.812 g/mol
SMILES c1(n[n](c(c1)-c1ccc(cc1)Cl)-c1c(N(=O)=O)cc(N(=O)=O)cc1)-c1ccccc1
SPLASH splash10-00di-0100900000-bf78a5a3a196a68e3267
Source of Spectrum J-53-1978-3
Wiley ID 1377867