| SpectraBase Compound ID | IB26kKr8bAq |
|---|---|
| InChI | InChI=1S/C12H11NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | NVLBOCIUMFYPGI-BQYQJAHWSA-N |
| Mol Weight | 201.22 g/mol |
| Molecular Formula | C12H11NO2 |
| Exact Mass | 201.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYEhh9Q3fkx |
|---|---|
| Name | 2-Propenoic acid, 3-(4-cyanophenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.078978596 u |
| Formula | C12H11NO2 |
| InChI | InChI=1S/C12H11NO2/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | NVLBOCIUMFYPGI-BQYQJAHWSA-N |
| Molecular Weight | 201.225 g/mol |
| SMILES | C1(=CC=C(C=C1)C#N)\C=C\C(=O)OCC |