| SpectraBase Compound ID | 7DjVKt9EsVo |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-10(2)7-8-16-13(15)12-5-3-11(9-14)4-6-12/h3-7H,8H2,1-2H3 |
| InChIKey | DLINGEMBUUQSLN-UHFFFAOYSA-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 | 1HCwKNe8ePA |
|---|---|
| Name | 4-Cyanobenzoic acid, 3-methyl-2-enyl 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/c1-10(2)7-8-16-13(15)12-5-3-11(9-14)4-6-12/h3-7H,8H2,1-2H3 |
| InChIKey | DLINGEMBUUQSLN-UHFFFAOYSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC=C(C)C)=O)C#N |