| SpectraBase Compound ID | BdTr9CPqSoL |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-2-16-12(15)8-4-6-10-13-9-5-3-7-11(13)14/h3-5,7-9H,2,6,10H2,1H3/b8-4+ |
| InChIKey | USMKTRFWPZYBIF-XBXARRHUSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFp4jivxRay |
|---|---|
| Name | (E)-5-(2-Keto-1-pyridyl)pent-2-enoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-2-16-12(15)8-4-6-10-13-9-5-3-7-11(13)14/h3-5,7-9H,2,6,10H2,1H3/b8-4+ |
| InChIKey | USMKTRFWPZYBIF-XBXARRHUSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C1(N(C=CC=C1)CC\C=C\C(=O)OCC)=O |