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1H-Imidazole-4,5-dicarboxylic acid, 5-[(3-methoxy-phenyl)-amide] 4-o-tolylamide
SpectraBase Compound ID BqKIG2lSKfS
InChI InChI=1S/C19H18N4O3/c1-12-6-3-4-9-15(12)23-19(25)17-16(20-11-21-17)18(24)22-13-7-5-8-14(10-13)26-2/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKey JQXLYXJNPQTMGG-UHFFFAOYSA-N
Mol Weight 350.38 g/mol
Molecular Formula C19H18N4O3
Exact Mass 350.13789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Df3c0NQBgDm
Name 1H-Imidazole-4,5-dicarboxylic acid, 5-[(3-methoxy-phenyl)-amide] 4-o-tolylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.137890453 u
Formula C19H18N4O3
InChI InChI=1S/C19H18N4O3/c1-12-6-3-4-9-15(12)23-19(25)17-16(20-11-21-17)18(24)22-13-7-5-8-14(10-13)26-2/h3-11H,1-2H3,(H,20,21)(H,22,24)(H,23,25)
InChIKey JQXLYXJNPQTMGG-UHFFFAOYSA-N
Molecular Weight 350.378 g/mol
SMILES C=1NC(=C(N1)C(NC1=CC=CC=C1C)=O)C(NC1=CC=CC(=C1)OC)=O