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

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1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-4-(2,5-xylylazo)pyrazole
SpectraBase Compound ID 1p0J3brPJPs
InChI InChI=1S/C24H20N6O4/c1-15-9-10-16(2)20(13-15)25-26-23-17(3)27-28(24(23)18-7-5-4-6-8-18)21-12-11-19(29(31)32)14-22(21)30(33)34/h4-14H,1-3H3/b26-25+
InChIKey PSKSXGQOEWFRLH-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 6stQZ4HBEQe
Name 1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-4-(2,5-xylylazo)pyrazole
Comments Computed using HOSE algorithm
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Exact Mass 456.154603144 u
Formula C24H20N6O4
InChI InChI=1S/C24H20N6O4/c1-15-9-10-16(2)20(13-15)25-26-23-17(3)27-28(24(23)18-7-5-4-6-8-18)21-12-11-19(29(31)32)14-22(21)30(33)34/h4-14H,1-3H3/b26-25+
InChIKey PSKSXGQOEWFRLH-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=C(C1)C)C)C=1C=CC=CC1)N(=O)=O