| SpectraBase Compound ID | Azs15kgp1f2 |
|---|---|
| InChI | InChI=1S/C13H14O5/c1-4-17-13(16)10-7(3)18-12-6(2)11(15)9(14)5-8(10)12/h5,14-15H,4H2,1-3H3 |
| InChIKey | SYGXWAUTFNMPJT-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Azby0iGh5M |
|---|---|
| Name | 5,6-Dihydroxy-2,7-dimethyl-3-benzofurancarboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.084123546 u |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c1-4-17-13(16)10-7(3)18-12-6(2)11(15)9(14)5-8(10)12/h5,14-15H,4H2,1-3H3 |
| InChIKey | SYGXWAUTFNMPJT-UHFFFAOYSA-N |
| Molecular Weight | 250.250 g/mol |
| SMILES | C=1(OC=2C(C1C(=O)OCC)=CC(=C(C2C)O)O)C |