| SpectraBase Compound ID | 9NYs54iwohG |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-3-14-12(13)11-8(2)9-6-4-5-7-10(9)15-11/h4-7H,3H2,1-2H3 |
| InChIKey | FBWZJJPGVQYUIN-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 | 9bzBRb39Ma9 |
|---|---|
| Name | Ethyl 3-methyl-1-benzofuran-2-carboxylate |
| 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/c1-3-14-12(13)11-8(2)9-6-4-5-7-10(9)15-11/h4-7H,3H2,1-2H3 |
| InChIKey | FBWZJJPGVQYUIN-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C=1(OC=2C=CC=CC2C1C)C(=O)OCC |