| SpectraBase Compound ID | vCxib5sK29 |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-3-15-12(13)9-8-10-6-4-5-7-11(10)14-2/h4-7H,3H2,1-2H3 |
| InChIKey | UBCAJFXTYQISOG-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 60iZceUrabd |
|---|---|
| Name | Ethyl 3-(2-methoxyphenyl)propiolate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.078644243 u |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-3-15-12(13)9-8-10-6-4-5-7-11(10)14-2/h4-7H,3H2,1-2H3 |
| InChIKey | UBCAJFXTYQISOG-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C(#CC(=O)OCC)C=1C(OC)=CC=CC1 |