| SpectraBase Compound ID | 4xZeVHT7DHM |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-5-11(4)9-8-10-12(13(15)17-6-2)14(16)18-7-3/h5,10H,1,4,6-9H2,2-3H3 |
| InChIKey | NUMQVJRELLEOSS-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8ysxo0GsYQ |
|---|---|
| Name | 2-(4-Methylenehex-5-enylidene)malonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-5-11(4)9-8-10-12(13(15)17-6-2)14(16)18-7-3/h5,10H,1,4,6-9H2,2-3H3 |
| InChIKey | NUMQVJRELLEOSS-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(C(C(=O)OCC)=CCCC(C=C)=C)(=O)OCC |