| SpectraBase Compound ID | 3CIYTG3qQnx |
|---|---|
| InChI | InChI=1S/C15H11N3O/c16-11-13(10-12-6-2-1-3-7-12)15(19)18-14-8-4-5-9-17-14/h1-10H,(H,17,18,19)/b13-10+ |
| InChIKey | DATACIMLAIVDGY-JLHYYAGUSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C15H11N3O |
| Exact Mass | 249.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpAXAZp5U15 |
|---|---|
| Name | Propenamide, 2-cyano-3-phenyl-N-(2-pyridyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.090211985 u |
| Formula | C15H11N3O |
| InChI | InChI=1S/C15H11N3O/c16-11-13(10-12-6-2-1-3-7-12)15(19)18-14-8-4-5-9-17-14/h1-10H,(H,17,18,19)/b13-10+ |
| InChIKey | DATACIMLAIVDGY-JLHYYAGUSA-N |
| Molecular Weight | 249.273 g/mol |
| SMILES | C(\C(=C\C=1C=CC=CC1)C#N)(NC1=NC=CC=C1)=O |