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(2E)-3-(2-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2-propenamide
SpectraBase Compound ID 5Fgdk3M6XVA
InChI InChI=1S/C15H16ClN3O/c16-14-5-2-1-4-13(14)6-7-15(20)18-8-3-10-19-11-9-17-12-19/h1-2,4-7,9,11-12H,3,8,10H2,(H,18,20)/b7-6+
InChIKey UBKRMUCGANDDKC-VOTSOKGWSA-N
Mol Weight 289.77 g/mol
Molecular Formula C15H16ClN3O
Exact Mass 289.09819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fyq3sjyLd7a
Name (2E)-3-(2-Chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2-propenamide
Comments Computed using HOSE algorithm
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Exact Mass 289.098189846 u
Formula C15H16ClN3O
InChI InChI=1S/C15H16ClN3O/c16-14-5-2-1-4-13(14)6-7-15(20)18-8-3-10-19-11-9-17-12-19/h1-2,4-7,9,11-12H,3,8,10H2,(H,18,20)/b7-6+
InChIKey UBKRMUCGANDDKC-VOTSOKGWSA-N
Molecular Weight 289.766 g/mol
SMILES N(C(\C=C\C1=C(Cl)C=CC=C1)=O)CCCN1C=NC=C1