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5-[N'-(2-Chloro-benzoyl)-hydrazinocarbonyl]-1H-imidazole-4-carboxylic acid (4-chloro-phenyl)-amide
SpectraBase Compound ID IhIbH7C806h
InChI InChI=1S/C18H13Cl2N5O3/c19-10-5-7-11(8-6-10)23-17(27)14-15(22-9-21-14)18(28)25-24-16(26)12-3-1-2-4-13(12)20/h1-9H,(H,21,22)(H,23,27)(H,24,26)(H,25,28)
InChIKey XUBCJKRWKIRJMG-UHFFFAOYSA-N
Mol Weight 418.24 g/mol
Molecular Formula C18H13Cl2N5O3
Exact Mass 417.039545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkpWu0oODw4
Name 5-[N'-(2-Chloro-benzoyl)-hydrazinocarbonyl]-1H-imidazole-4-carboxylic acid (4-chloro-phenyl)-amide
Comments Computed using HOSE algorithm
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Exact Mass 417.039544696 u
Formula C18H13Cl2N5O3
InChI InChI=1S/C18H13Cl2N5O3/c19-10-5-7-11(8-6-10)23-17(27)14-15(22-9-21-14)18(28)25-24-16(26)12-3-1-2-4-13(12)20/h1-9H,(H,21,22)(H,23,27)(H,24,26)(H,25,28)
InChIKey XUBCJKRWKIRJMG-UHFFFAOYSA-N
Molecular Weight 418.240 g/mol
SMILES C1(=C(C(NNC(C2=C(Cl)C=CC=C2)=O)=O)NC=N1)C(NC1=CC=C(C=C1)Cl)=O