| SpectraBase Compound ID | G8W8AIqKZSV |
|---|---|
| InChI | InChI=1S/C12H11N3O2/c1-8(16)15-11-4-2-9(3-5-11)6-10(7-13)12(14)17/h2-6H,1H3,(H2,14,17)(H,15,16) |
| InChIKey | KZYALRXGZUUWDD-UHFFFAOYSA-N |
| Mol Weight | 229.24 g/mol |
| Molecular Formula | C12H11N3O2 |
| Exact Mass | 229.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1DBxxG5owSm |
|---|---|
| Name | p-Acetamido-alpha-cyanocinnamamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.085126604 u |
| Formula | C12H11N3O2 |
| InChI | InChI=1S/C12H11N3O2/c1-8(16)15-11-4-2-9(3-5-11)6-10(7-13)12(14)17/h2-6H,1H3,(H2,14,17)(H,15,16) |
| InChIKey | KZYALRXGZUUWDD-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C(C(N)=O)C#N)C=C1)C(C)=O |