| SpectraBase Compound ID | 9EWITTJ21l2 |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6-8/h2,4,6H,3,5H2,1H3/b4-2- |
| InChIKey | HLAXXSHBUZMBGE-RQOWECAXSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hSEstuM4fP |
|---|---|
| Name | Methyl 6-oxo-4(Z)-hexenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.062994179 u |
| Formula | C7H10O3 |
| InChI | InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6-8/h2,4,6H,3,5H2,1H3/b4-2- |
| InChIKey | HLAXXSHBUZMBGE-RQOWECAXSA-N |
| SMILES | C(=O)(OC)CC\C=C/C=O |