| SpectraBase Compound ID | JTBjymIaOGE |
|---|---|
| InChI | InChI=1S/C10H14O3/c1-4-13-10(12)8(2)6-5-7-9(3)11/h5-7H,4H2,1-3H3/b7-5+,8-6+ |
| InChIKey | VMILCVCSESPPIA-KQQUZDAGSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uSa9w3UCde |
|---|---|
| Name | Ethyl 2-methyl-6-oxo-2(E),4(E)-heptadienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c1-4-13-10(12)8(2)6-5-7-9(3)11/h5-7H,4H2,1-3H3/b7-5+,8-6+ |
| InChIKey | VMILCVCSESPPIA-KQQUZDAGSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | C(\C(=C\C=C\C(=O)C)C)(=O)OCC |