| SpectraBase Compound ID | F6rcaMMVH43 |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-3-5-6-9-12(14)10-7-8-11-13(15)16-4-2/h3,8,11H,1,4-7,9-10H2,2H3/b11-8- |
| InChIKey | PMKHTJRRDVRZQK-FLIBITNWSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F7z9AYxtF1E |
|---|---|
| Name | Ethyl 6-oxo-2,10-undecadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-3-5-6-9-12(14)10-7-8-11-13(15)16-4-2/h3,8,11H,1,4-7,9-10H2,2H3/b11-8- |
| InChIKey | PMKHTJRRDVRZQK-FLIBITNWSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C(\C=C/CCC(=O)CCCC=C)(=O)OCC |