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1-(2,4-Dinitrophenyl)-3-methylpyrazole-4,5-dione, 4-[(p-methoxyphenyl)hydrazone]
SpectraBase Compound ID 4AFVawO0xtI
InChI InChI=1S/C17H14N6O6/c1-10-16(19-18-11-3-6-13(29-2)7-4-11)17(24)21(20-10)14-8-5-12(22(25)26)9-15(14)23(27)28/h3-9,18H,1-2H3/b19-16+
InChIKey MTNAOHDSJWSJSR-KNTRCKAVSA-N
Mol Weight 398.34 g/mol
Molecular Formula C17H14N6O6
Exact Mass 398.097482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ESDEBFuYLAu
Name 1-(2,4-Dinitrophenyl)-3-methylpyrazole-4,5-dione, 4-[(p-methoxyphenyl)hydrazone]
Comments Computed using HOSE algorithm
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Exact Mass 398.097482189 u
Formula C17H14N6O6
InChI InChI=1S/C17H14N6O6/c1-10-16(19-18-11-3-6-13(29-2)7-4-11)17(24)21(20-10)14-8-5-12(22(25)26)9-15(14)23(27)28/h3-9,18H,1-2H3/b19-16+
InChIKey MTNAOHDSJWSJSR-KNTRCKAVSA-N
Molecular Weight 398.335 g/mol
SMILES N(C=1C=CC(=CC1)OC)\N=C/1C(C)=NN(C1=O)C1=CC=C(C=C1N(=O)=O)N(=O)=O