| SpectraBase Compound ID | Bh9GPrLJJlk |
|---|---|
| InChI | InChI=1S/C13H11N3O/c14-8-1-9-16-13(17)7-6-11-2-4-12(10-15)5-3-11/h2-7H,1,9H2,(H,16,17)/b7-6+ |
| InChIKey | ZJECJNHHNIEVMM-VOTSOKGWSA-N |
| Mol Weight | 225.25 g/mol |
| Molecular Formula | C13H11N3O |
| Exact Mass | 225.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2k03HaFHOqE |
|---|---|
| Name | N-(2-Cyanoethyl)-4-cyano-cinnamamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.090211985 u |
| Formula | C13H11N3O |
| InChI | InChI=1S/C13H11N3O/c14-8-1-9-16-13(17)7-6-11-2-4-12(10-15)5-3-11/h2-7H,1,9H2,(H,16,17)/b7-6+ |
| InChIKey | ZJECJNHHNIEVMM-VOTSOKGWSA-N |
| Molecular Weight | 225.251 g/mol |
| SMILES | C1=C(C=CC(=C1)C#N)\C=C\C(=O)NCCC#N |