| SpectraBase Compound ID | 5BWXLXAb3Sj |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-6,9H,2,7-8H2,1H3 |
| InChIKey | KMLCMKXDMYDBMX-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65w8ZM5mw5W |
|---|---|
| Name | Ethyl 3-(4-formylphenyl)propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10/h3-6,9H,2,7-8H2,1H3 |
| InChIKey | KMLCMKXDMYDBMX-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(CCC=1C=CC(=CC1)C=O)(=O)OCC |