| SpectraBase Compound ID | 3huAcpW1HrI |
|---|---|
| InChI | InChI=1S/C12H12ClN3O/c1-16(2)10-4-3-8(11(13)6-10)5-9(7-14)12(15)17/h3-6H,1-2H3,(H2,15,17) |
| InChIKey | HDCDZYNPKYHIBT-UHFFFAOYSA-N |
| Mol Weight | 249.7 g/mol |
| Molecular Formula | C12H12ClN3O |
| Exact Mass | 249.06689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95loyIN0Ocg |
|---|---|
| Name | 2-Chloro-alpha-cyano-4-(dimethylamino)cinnamamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.066889717 u |
| Formula | C12H12ClN3O |
| InChI | InChI=1S/C12H12ClN3O/c1-16(2)10-4-3-8(11(13)6-10)5-9(7-14)12(15)17/h3-6H,1-2H3,(H2,15,17) |
| InChIKey | HDCDZYNPKYHIBT-UHFFFAOYSA-N |
| Molecular Weight | 249.701 g/mol |
| SMILES | NC(=O)C(=CC1=CC=C(C=C1Cl)N(C)C)C#N |