![5-[p-Cyanophenyl]-2,4-pentadienoic acid ethyl ester](/api/spectrum/LT9FeJptwVr/structure.png?h=300&w=458 "5-[p-Cyanophenyl]-2,4-pentadienoic acid ethyl ester")
| SpectraBase Compound ID | 48yBFevJ3yz |
|---|---|
| InChI | InChI=1S/C14H13NO2/c1-2-17-14(16)6-4-3-5-12-7-9-13(11-15)10-8-12/h3-10H,2H2,1H3/b5-3+,6-4+ |
| InChIKey | GIIYQOIIDXEQJM-GGWOSOGESA-N |
| Mol Weight | 227.26 g/mol |
| Molecular Formula | C14H13NO2 |
| Exact Mass | 227.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LT9FeJptwVr |
|---|---|
| Name | 5-[p-Cyanophenyl]-2,4-pentadienoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.094628661 u |
| Formula | C14H13NO2 |
| InChI | InChI=1S/C14H13NO2/c1-2-17-14(16)6-4-3-5-12-7-9-13(11-15)10-8-12/h3-10H,2H2,1H3/b5-3+,6-4+ |
| InChIKey | GIIYQOIIDXEQJM-GGWOSOGESA-N |
| Molecular Weight | 227.263 g/mol |
| SMILES | C1=CC(\C=C\C=C\C(OCC)=O)=CC=C1C#N |