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1H-Imidazole-4,5-dicarboxamide, N,N'-bis(2-nitrophenyl)-

View entire compound with spectra: 1 NMR

1H-Imidazole-4,5-dicarboxamide, N,N'-bis(2-nitrophenyl)-
SpectraBase Compound ID DyXdqCRat2F
InChI InChI=1S/C17H12N6O6/c24-16(20-10-5-1-3-7-12(10)22(26)27)14-15(19-9-18-14)17(25)21-11-6-2-4-8-13(11)23(28)29/h1-9H,(H,18,19)(H,20,24)(H,21,25)
InChIKey KNHREIRRBXPFCR-UHFFFAOYSA-N
Mol Weight 396.32 g/mol
Molecular Formula C17H12N6O6
Exact Mass 396.081832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWMPG4Gu4jK
Name 1H-Imidazole-4,5-dicarboxamide, N,N'-bis(2-nitrophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.081832124 u
Formula C17H12N6O6
InChI InChI=1S/C17H12N6O6/c24-16(20-10-5-1-3-7-12(10)22(26)27)14-15(19-9-18-14)17(25)21-11-6-2-4-8-13(11)23(28)29/h1-9H,(H,18,19)(H,20,24)(H,21,25)
InChIKey KNHREIRRBXPFCR-UHFFFAOYSA-N
Molecular Weight 396.319 g/mol
SMILES C1(=C(C(NC2=C(N(=O)=O)C=CC=C2)=O)NC=N1)C(NC1=C(N(=O)=O)C=CC=C1)=O