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1H-Imidazole-4,5-dicarboxylic acid, 4-[(4-chloro-phenyl)-amide] 5-m-tolylamide
SpectraBase Compound ID KsEMp7slWSO
InChI InChI=1S/C18H15ClN4O2/c1-11-3-2-4-14(9-11)23-18(25)16-15(20-10-21-16)17(24)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKey ZYSVKFSNBIULEH-UHFFFAOYSA-N
Mol Weight 354.8 g/mol
Molecular Formula C18H15ClN4O2
Exact Mass 354.088353 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DSo7w0V5vw
Name 1H-Imidazole-4,5-dicarboxylic acid, 4-[(4-chloro-phenyl)-amide] 5-m-tolylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.088353437 u
Formula C18H15ClN4O2
InChI InChI=1S/C18H15ClN4O2/c1-11-3-2-4-14(9-11)23-18(25)16-15(20-10-21-16)17(24)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKey ZYSVKFSNBIULEH-UHFFFAOYSA-N
Molecular Weight 354.797 g/mol
SMILES C1(C(NC2=CC=C(C=C2)Cl)=O)=C(NC=N1)C(NC1=CC(=CC=C1)C)=O