![N-Isopropyl-3-phenyl-3-[(3'-pyridyl)methylamino]-2-propenamide](/api/spectrum/AMfAI1VVVlg/structure.png?h=300&w=458 "N-Isopropyl-3-phenyl-3-[(3'-pyridyl)methylamino]-2-propenamide")
| SpectraBase Compound ID | Aln458eO0uM |
|---|---|
| InChI | InChI=1S/C18H21N3O/c1-14(2)21-18(22)11-17(16-8-4-3-5-9-16)20-13-15-7-6-10-19-12-15/h3-12,14,20H,13H2,1-2H3,(H,21,22)/b17-11+ |
| InChIKey | NJJKESJKPABQOD-GZTJUZNOSA-N |
| Mol Weight | 295.39 g/mol |
| Molecular Formula | C18H21N3O |
| Exact Mass | 295.168462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMfAI1VVVlg |
|---|---|
| Name | N-Isopropyl-3-phenyl-3-[(3'-pyridyl)methylamino]-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.168462307 u |
| Formula | C18H21N3O |
| InChI | InChI=1S/C18H21N3O/c1-14(2)21-18(22)11-17(16-8-4-3-5-9-16)20-13-15-7-6-10-19-12-15/h3-12,14,20H,13H2,1-2H3,(H,21,22)/b17-11+ |
| InChIKey | NJJKESJKPABQOD-GZTJUZNOSA-N |
| SMILES | C(N\C(=C\C(NC(C)C)=O)C1=CC=CC=C1)C=1C=NC=CC1 |