| SpectraBase Compound ID | 5YkUxJ6VmGG |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-4-7-8-9-11(14-5-2)10-12(13)15-6-3/h8-10H,4-7H2,1-3H3/b9-8+,11-10+ |
| InChIKey | XJOONBGQHLICQN-BNFZFUHLSA-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 | Fa2Ob1SZDig |
|---|---|
| Name | Ethyl 3-ethoxyocta-2,4-dienoate |
| 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/c1-4-7-8-9-11(14-5-2)10-12(13)15-6-3/h8-10H,4-7H2,1-3H3/b9-8+,11-10+ |
| InChIKey | XJOONBGQHLICQN-BNFZFUHLSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(\C=C/(\C=C\CCC)OCC)(=O)OCC |