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1H-Imidazole-4,5-dicarboxylic acid, 4-[(2-methoxy-phenyl)-amide] 5-[(2-nitro-phenyl)-amide]
SpectraBase Compound ID 2w4Jv37jKjj
InChI InChI=1S/C18H15N5O5/c1-28-14-9-5-3-7-12(14)22-18(25)16-15(19-10-20-16)17(24)21-11-6-2-4-8-13(11)23(26)27/h2-10H,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKey NRHGNSXLFBMFNE-UHFFFAOYSA-N
Mol Weight 381.35 g/mol
Molecular Formula C18H15N5O5
Exact Mass 381.107319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkWlElyyT27
Name 1H-Imidazole-4,5-dicarboxylic acid, 4-[(2-methoxy-phenyl)-amide] 5-[(2-nitro-phenyl)-amide]
Comments Computed using HOSE algorithm
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Exact Mass 381.107318598 u
Formula C18H15N5O5
InChI InChI=1S/C18H15N5O5/c1-28-14-9-5-3-7-12(14)22-18(25)16-15(19-10-20-16)17(24)21-11-6-2-4-8-13(11)23(26)27/h2-10H,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKey NRHGNSXLFBMFNE-UHFFFAOYSA-N
Molecular Weight 381.348 g/mol
SMILES C(NC1=C(C=CC=C1)N(=O)=O)(C=1NC=NC1C(NC1=CC=CC=C1OC)=O)=O