| SpectraBase Compound ID | HFLXwMMb5VA |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-4-17-13(16)9-7-5-6-8-12(10(2)14)11(3)15/h12H,4-9H2,1-3H3 |
| InChIKey | SDYKVAUCRXDLSU-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 | EdUnVlmAd8F |
|---|---|
| Name | Ethyl 3-acyl-8-oxononanoate |
| 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/c1-4-17-13(16)9-7-5-6-8-12(10(2)14)11(3)15/h12H,4-9H2,1-3H3 |
| InChIKey | SDYKVAUCRXDLSU-UHFFFAOYSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(C(=O)C)(C(=O)C)CCCCCC(=O)OCC |