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1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-4-(p-tolylazo)pyrazole
SpectraBase Compound ID 6pxAdG9x5wy
InChI InChI=1S/C23H18N6O4/c1-15-8-10-18(11-9-15)24-25-22-16(2)26-27(23(22)17-6-4-3-5-7-17)20-13-12-19(28(30)31)14-21(20)29(32)33/h3-14H,1-2H3/b25-24+
InChIKey LACPBIXQCJYYFK-OCOZRVBESA-N
Mol Weight 442.44 g/mol
Molecular Formula C23H18N6O4
Exact Mass 442.138953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNI2VCK3ULH
Name 1-(2,4-Dinitrophenyl)-3-methyl-5-phenyl-4-(p-tolylazo)pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.138953080 u
Formula C23H18N6O4
InChI InChI=1S/C23H18N6O4/c1-15-8-10-18(11-9-15)24-25-22-16(2)26-27(23(22)17-6-4-3-5-7-17)20-13-12-19(28(30)31)14-21(20)29(32)33/h3-14H,1-2H3/b25-24+
InChIKey LACPBIXQCJYYFK-OCOZRVBESA-N
Molecular Weight 442.435 g/mol
SMILES N(=O)(=O)C=1C=C(C=CC1N1C(=C(C(=N1)C)\N=N\C=1C=CC(=CC1)C)C=1C=CC=CC1)N(=O)=O