![2-[(E)-4-(2-ketocyclopentyl)but-2-enyl]malonic acid dimethyl ester](/api/spectrum/25dtd47S033/structure.png?h=300&w=458 "2-[(E)-4-(2-ketocyclopentyl)but-2-enyl]malonic acid dimethyl ester")
| SpectraBase Compound ID | 7aAiltUXE55 |
|---|---|
| InChI | InChI=1S/C14H20O5/c1-18-13(16)11(14(17)19-2)8-4-3-6-10-7-5-9-12(10)15/h3-4,10-11H,5-9H2,1-2H3/b4-3+ |
| InChIKey | LUESHPRQBSUIRE-ONEGZZNKSA-N |
| Mol Weight | 268.31 g/mol |
| Molecular Formula | C14H20O5 |
| Exact Mass | 268.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25dtd47S033 |
|---|---|
| Name | 2-[(E)-4-(2-Ketocyclopentyl)but-2-enyl]malonic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.131073739 u |
| Formula | C14H20O5 |
| InChI | InChI=1S/C14H20O5/c1-18-13(16)11(14(17)19-2)8-4-3-6-10-7-5-9-12(10)15/h3-4,10-11H,5-9H2,1-2H3/b4-3+ |
| InChIKey | LUESHPRQBSUIRE-ONEGZZNKSA-N |
| Molecular Weight | 268.309 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)C\C=C\CC1C(=O)CCC1 |