| SpectraBase Compound ID | 4IQGMENZIIP |
|---|---|
| InChI | InChI=1S/C12H16N2O3/c1-3-17-12(16)11(14-10(2)15)8-6-4-5-7-9-13/h4-7,11H,3,8H2,1-2H3,(H,14,15)/b6-4+,7-5- |
| InChIKey | NDPPYKZLXXWQOY-GUBXDBFYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C12H16N2O3 |
| Exact Mass | 236.116092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FeEqpD1a983 |
|---|---|
| Name | (E,Z)-Ethyl 2-acetamido-7-cyanohept-4,6-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.116092380 u |
| Formula | C12H16N2O3 |
| InChI | InChI=1S/C12H16N2O3/c1-3-17-12(16)11(14-10(2)15)8-6-4-5-7-9-13/h4-7,11H,3,8H2,1-2H3,(H,14,15)/b6-4+,7-5- |
| InChIKey | NDPPYKZLXXWQOY-GUBXDBFYSA-N |
| Molecular Weight | 236.271 g/mol |
| SMILES | C(#N)\C=C/C=C/CC(C(=O)OCC)NC(=O)C |