| SpectraBase Compound ID | Iw3BFkKnLaz |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-3-7-10(12)8-5-4-6-9-11(13)14-2/h3,6,9H,1,4-5,7-8H2,2H3/b9-6+ |
| InChIKey | DUKXGYMTDDHIEM-RMKNXTFCSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5fQppjV9g99 |
|---|---|
| Name | (E)-Methyl 7-oxo-2,9-deca-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-3-7-10(12)8-5-4-6-9-11(13)14-2/h3,6,9H,1,4-5,7-8H2,2H3/b9-6+ |
| InChIKey | DUKXGYMTDDHIEM-RMKNXTFCSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C(\C=C\CCCC(=O)CC=C)(=O)OC |