| SpectraBase Compound ID | GIwcVMfjk77 |
|---|---|
| InChI | InChI=1S/C13H14O4/c1-3-17-13(16)11(9(2)14)12(15)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3 |
| InChIKey | CMJWTVYVMCEPGG-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C13H14O4 |
| Exact Mass | 234.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2FjzhLJ538m |
|---|---|
| Name | 2-Benzoyl-3-oxo-butyric acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.089208927 u |
| Formula | C13H14O4 |
| InChI | InChI=1S/C13H14O4/c1-3-17-13(16)11(9(2)14)12(15)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3 |
| InChIKey | CMJWTVYVMCEPGG-UHFFFAOYSA-N |
| Molecular Weight | 234.251 g/mol |
| SMILES | C(C(=O)C1=CC=CC=C1)(C(=O)OCC)C(=O)C |