| SpectraBase Compound ID | 54zq19BrYjB |
|---|---|
| InChI | InChI=1S/C15H19NO4/c1-4-7-10-15(11-8-9-12-16,13(17)19-5-2)14(18)20-6-3/h8-9H,5-6,10-11H2,1-3H3/b9-8+ |
| InChIKey | AXBKSPOITLDSQA-CMDGGOBGSA-N |
| Mol Weight | 277.32 g/mol |
| Molecular Formula | C15H19NO4 |
| Exact Mass | 277.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhBJkN7VvCP |
|---|---|
| Name | (E/Z)-Diethyl 2-(but-2-ynyl)-2-(3-cyanoallyl)malonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.131408092 u |
| Formula | C15H19NO4 |
| InChI | InChI=1S/C15H19NO4/c1-4-7-10-15(11-8-9-12-16,13(17)19-5-2)14(18)20-6-3/h8-9H,5-6,10-11H2,1-3H3/b9-8+ |
| InChIKey | AXBKSPOITLDSQA-CMDGGOBGSA-N |
| SMILES | C(C(OCC)=O)(CC#CC)(C(OCC)=O)C\C=C\C#N |