| SpectraBase Compound ID | GyEfna4LkS9 |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-5-11(7-8-12(14)6-2)9(3)15-10(4)13/h7-9,11H,5-6H2,1-4H3/b8-7+ |
| InChIKey | VSXAXOIIDVPTME-BQYQJAHWSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4T6zdSX4eK2 |
|---|---|
| Name | 4-Octen-3-one, 7-(acetyloxy)-6-ethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-5-11(7-8-12(14)6-2)9(3)15-10(4)13/h7-9,11H,5-6H2,1-4H3/b8-7+ |
| InChIKey | VSXAXOIIDVPTME-BQYQJAHWSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(\C=C\C(C(OC(=O)C)C)CC)(=O)CC |