![2-oxo-3-[3-Methoxybenzoyl]propanoic acid, ethyl ester](/api/spectrum/DKS9T5Yfjth/structure.png?h=300&w=458 "2-oxo-3-[3-Methoxybenzoyl]propanoic acid, ethyl ester")
| SpectraBase Compound ID | CzqODdKcaGj |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-3-18-13(16)12(15)8-11(14)9-5-4-6-10(7-9)17-2/h4-7H,3,8H2,1-2H3 |
| InChIKey | QUKANMABXJIQRZ-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKS9T5Yfjth |
|---|---|
| Name | 2-oxo-3-[3-Methoxybenzoyl]propanoic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-3-18-13(16)12(15)8-11(14)9-5-4-6-10(7-9)17-2/h4-7H,3,8H2,1-2H3 |
| InChIKey | QUKANMABXJIQRZ-UHFFFAOYSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C1=C(C=C(C=C1)OC)C(CC(C(OCC)=O)=O)=O |