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1H-Imidazole-4,5-dicarboxylic acid, 5-[(4-amino-phenyl)-amide] 4-[(2-nitro-phenyl)-amide]
SpectraBase Compound ID 4T4HbPGj7Yt
InChI InChI=1S/C17H14N6O4/c18-10-5-7-11(8-6-10)21-16(24)14-15(20-9-19-14)17(25)22-12-3-1-2-4-13(12)23(26)27/h1-9H,18H2,(H,19,20)(H,21,24)(H,22,25)
InChIKey AHNXHTAEFKBBMJ-UHFFFAOYSA-N
Mol Weight 366.34 g/mol
Molecular Formula C17H14N6O4
Exact Mass 366.107653 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DlmNNpYQnA
Name 1H-Imidazole-4,5-dicarboxylic acid, 5-[(4-amino-phenyl)-amide] 4-[(2-nitro-phenyl)-amide]
Comments Computed using HOSE algorithm
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Exact Mass 366.107652951 u
Formula C17H14N6O4
InChI InChI=1S/C17H14N6O4/c18-10-5-7-11(8-6-10)21-16(24)14-15(20-9-19-14)17(25)22-12-3-1-2-4-13(12)23(26)27/h1-9H,18H2,(H,19,20)(H,21,24)(H,22,25)
InChIKey AHNXHTAEFKBBMJ-UHFFFAOYSA-N
Molecular Weight 366.337 g/mol
SMILES C=1(N=CNC1C(NC1=CC=C(C=C1)N)=O)C(NC1=C(C=CC=C1)N(=O)=O)=O