| SpectraBase Compound ID | xTd3gyoLY4 |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-4-13-10(12)7-9(5-6-11)8(2)3/h6,9H,2,4-5,7H2,1,3H3 |
| InChIKey | VFCKJXXRVYDCRE-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8PeQF0OV8wL |
|---|---|
| Name | 3-(2-Ketoethyl)-4-methyl-pent-4-enoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-4-13-10(12)7-9(5-6-11)8(2)3/h6,9H,2,4-5,7H2,1,3H3 |
| InChIKey | VFCKJXXRVYDCRE-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(CC(CC=O)C(=C)C)(=O)OCC |