| SpectraBase Compound ID | 5h83Fj6MIvc |
|---|---|
| InChI | InChI=1S/C14H22O6/c1-3-13(17)20-10-9-12(16)6-5-11(15)7-8-14(18)19-4-2/h3-10H2,1-2H3 |
| InChIKey | HGRQORYNITYKFM-UHFFFAOYSA-N |
| Mol Weight | 286.32 g/mol |
| Molecular Formula | C14H22O6 |
| Exact Mass | 286.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rvtBn9d99r |
|---|---|
| Name | 4,7-Dioxo-9-hydroxynonanoic acid, ethyl ester, propionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.141638422 u |
| Formula | C14H22O6 |
| InChI | InChI=1S/C14H22O6/c1-3-13(17)20-10-9-12(16)6-5-11(15)7-8-14(18)19-4-2/h3-10H2,1-2H3 |
| InChIKey | HGRQORYNITYKFM-UHFFFAOYSA-N |
| SMILES | C(OC(CC)=O)CC(CCC(CCC(OCC)=O)=O)=O |