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2-{[(3-chloroanilino)carbonyl]amino}-N-(4-chlorophenyl)benzamide
SpectraBase Compound ID GOlVwdL8DZH
InChI InChI=1S/C20H15Cl2N3O2/c21-13-8-10-15(11-9-13)23-19(26)17-6-1-2-7-18(17)25-20(27)24-16-5-3-4-14(22)12-16/h1-12H,(H,23,26)(H2,24,25,27)
InChIKey ONPFDULJSYXORM-UHFFFAOYSA-N
Mol Weight 400.27 g/mol
Molecular Formula C20H15Cl2N3O2
Exact Mass 399.054132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JM1LmcP5KKP
Name 2-{[(3-chloroanilino)carbonyl]amino}-N-(4-chlorophenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 399.054132133 u
Formula C20H15Cl2N3O2
InChI InChI=1S/C20H15Cl2N3O2/c21-13-8-10-15(11-9-13)23-19(26)17-6-1-2-7-18(17)25-20(27)24-16-5-3-4-14(22)12-16/h1-12H,(H,23,26)(H2,24,25,27)
InChIKey ONPFDULJSYXORM-UHFFFAOYSA-N
Molecular Weight 400.265 g/mol
SMILES N(C(NC1=CC(Cl)=CC=C1)=O)C1=C(C(NC2=CC=C(C=C2)Cl)=O)C=CC=C1