| SpectraBase Compound ID | GUUbPLkitcJ |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-5(4-6(2)8)7(9)10-3/h4H,1-3H3/b5-4- |
| InChIKey | AKFNUQKGAZLLPH-PLNGDYQASA-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 | umCGPQcRMr |
|---|---|
| Name | (Z)-2-Methyl-4-oxo-2-pentenoic acid methyl ester |
| 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/c1-5(4-6(2)8)7(9)10-3/h4H,1-3H3/b5-4- |
| InChIKey | AKFNUQKGAZLLPH-PLNGDYQASA-N |
| SMILES | C(\C(=C/C(=O)C)C)(=O)OC |