| SpectraBase Compound ID | LOwrVgoErq |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h4,11H,1,5-10H2,2-3H3 |
| InChIKey | FSQVHVHUSXMPOB-UHFFFAOYSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qvoGbP9CjS |
|---|---|
| Name | 2-hex-5-Enylmalonic acid diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h4,11H,1,5-10H2,2-3H3 |
| InChIKey | FSQVHVHUSXMPOB-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)CCCCC=C |