| SpectraBase Compound ID | 20tkfJN2g0S |
|---|---|
| InChI | InChI=1S/C10H16O4/c1-7(11)4-5-9(6-8(2)12)10(13)14-3/h9H,4-6H2,1-3H3 |
| InChIKey | WGBPKVADRXEPMW-UHFFFAOYSA-N |
| Mol Weight | 200.23 g/mol |
| Molecular Formula | C10H16O4 |
| Exact Mass | 200.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lmJn4HHX2Y |
|---|---|
| Name | 5-oxo-2-(2-oxo-Propyl)-hexanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.104858991 u |
| Formula | C10H16O4 |
| InChI | InChI=1S/C10H16O4/c1-7(11)4-5-9(6-8(2)12)10(13)14-3/h9H,4-6H2,1-3H3 |
| InChIKey | WGBPKVADRXEPMW-UHFFFAOYSA-N |
| Molecular Weight | 200.234 g/mol |
| SMILES | C(C(CC(=O)C)CCC(=O)C)(=O)OC |