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N-({1-[(2,4-dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)propanamide
SpectraBase Compound ID 2Zi1UXfJEH5
InChI InChI=1S/C18H17Cl2N3O/c1-2-18(24)21-10-17-22-15-5-3-4-6-16(15)23(17)11-12-7-8-13(19)9-14(12)20/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKey VVFDCXGUUYHCOC-UHFFFAOYSA-N
Mol Weight 362.26 g/mol
Molecular Formula C18H17Cl2N3O
Exact Mass 361.074868 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5GUNPl5xM5k
Name N-({1-[(2,4-Dichlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)propanamide
Comments Computed using HOSE algorithm
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Exact Mass 361.074867578 u
Formula C18H17Cl2N3O
InChI InChI=1S/C18H17Cl2N3O/c1-2-18(24)21-10-17-22-15-5-3-4-6-16(15)23(17)11-12-7-8-13(19)9-14(12)20/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKey VVFDCXGUUYHCOC-UHFFFAOYSA-N
Molecular Weight 362.260 g/mol
SMILES C1=CC=C2N(CC3=CC=C(C=C3Cl)Cl)C(=NC2=C1)CNC(CC)=O