| SpectraBase Compound ID | Gm7OxMz7Lzi |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-2-17-13(16)11(9-12(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15) |
| InChIKey | SVOFIGAAIVLIFL-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AUr4I3VRlrX |
|---|---|
| Name | 3-Benzyl-4-ethoxy-4-keto-butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-2-17-13(16)11(9-12(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15) |
| InChIKey | SVOFIGAAIVLIFL-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(C(CC(=O)O)CC1=CC=CC=C1)(=O)OCC |