| SpectraBase Compound ID | Cl9S7prdzKH |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h6H,2,7-8,10-11H2,1,3-4H3 |
| InChIKey | SGFYOGIBQCOXPJ-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 | 1coxzaTR19H |
|---|---|
| Name | 2-Allyl-2-but-2-ynyl-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/c1-5-9-11-14(10-6-2,12(15)17-7-3)13(16)18-8-4/h6H,2,7-8,10-11H2,1,3-4H3 |
| InChIKey | SGFYOGIBQCOXPJ-UHFFFAOYSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)(CC#CC)CC=C |