![3-[2-(3-Ethoxy-3-keto-prop-1-ynyl)phenyl]propiolic acid ethyl ester](/api/spectrum/Bo6aERDMOUZ/structure.png?h=300&w=458 "3-[2-(3-Ethoxy-3-keto-prop-1-ynyl)phenyl]propiolic acid ethyl ester")
| SpectraBase Compound ID | 8uqSuxbAjQ6 |
|---|---|
| InChI | InChI=1S/C16H14O4/c1-3-19-15(17)11-9-13-7-5-6-8-14(13)10-12-16(18)20-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | SIVXJKQVBZYBJP-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bo6aERDMOUZ |
|---|---|
| Name | 3-[2-(3-Ethoxy-3-keto-prop-1-ynyl)phenyl]propiolic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.089208927 u |
| Formula | C16H14O4 |
| InChI | InChI=1S/C16H14O4/c1-3-19-15(17)11-9-13-7-5-6-8-14(13)10-12-16(18)20-4-2/h5-8H,3-4H2,1-2H3 |
| InChIKey | SIVXJKQVBZYBJP-UHFFFAOYSA-N |
| SMILES | C(C#CC=1C(=CC=CC1)C#CC(=O)OCC)(=O)OCC |