| SpectraBase Compound ID | 9gD1FoSjgw4 |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-6-4-5-10(2)7-11/h4-8H,3H2,1-2H3/b12-8+ |
| InChIKey | BVWIYLDDGGMWEJ-XYOKQWHBSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9i5q7txRI5 |
|---|---|
| Name | 2-Propenoic acid, 2-cyano-3-(3-methylphenyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)8-11-6-4-5-10(2)7-11/h4-8H,3H2,1-2H3/b12-8+ |
| InChIKey | BVWIYLDDGGMWEJ-XYOKQWHBSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | CC1=CC=CC(=C1)\C=C/(C#N)C(OCC)=O |