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1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-4-(2,4-xylylazo)pyrazole

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1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-4-(2,4-xylylazo)pyrazole
SpectraBase Compound ID L6uESnZIXXu
InChI InChI=1S/C24H20N6O4/c1-15-9-11-20(16(2)13-15)25-26-23-17(3)27-28(24(23)18-7-5-4-6-8-18)21-12-10-19(29(31)32)14-22(21)30(33)34/h4-14H,1-3H3/b26-25+
InChIKey KYCFVIJPTARJCN-OCEACIFDSA-N
Mol Weight 456.46 g/mol
Molecular Formula C24H20N6O4
Exact Mass 456.154603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwHiVfhDUMy
Name 1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-4-(2,4-xylylazo)pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.154603144 u
Formula C24H20N6O4
InChI InChI=1S/C24H20N6O4/c1-15-9-11-20(16(2)13-15)25-26-23-17(3)27-28(24(23)18-7-5-4-6-8-18)21-12-10-19(29(31)32)14-22(21)30(33)34/h4-14H,1-3H3/b26-25+
InChIKey KYCFVIJPTARJCN-OCEACIFDSA-N
Molecular Weight 456.462 g/mol
SMILES N(=O)(=O)C=1C=C(C=CC1N1C(=C(C(=N1)C)\N=N\C=1C(=CC(=CC1)C)C)C=1C=CC=CC1)N(=O)=O