| SpectraBase Compound ID | 18tGVmJI9lW |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6,13H,3H2,1-2H3 |
| InChIKey | KSNVFCJUBJUTPF-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I45vUNfTLOe |
|---|---|
| Name | 3-Benzofurancarboxylic acid, 5-hydroxy-2-methyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-3-15-12(14)11-7(2)16-10-5-4-8(13)6-9(10)11/h4-6,13H,3H2,1-2H3 |
| InChIKey | KSNVFCJUBJUTPF-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | C1=C2C(=CC=C1O)OC(=C2C(OCC)=O)C |