| SpectraBase Compound ID | ApkbtrMznld |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3 |
| InChIKey | GCUPAENRSCPHBM-UHFFFAOYSA-N |
| Mol Weight | 182.17 g/mol |
| Molecular Formula | C9H10O4 |
| Exact Mass | 182.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKDDdLySXK3 |
|---|---|
| Name | Benzoic acid, 2,5-dihydroxy-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.057908798 u |
| Formula | C9H10O4 |
| InChI | InChI=1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3 |
| InChIKey | GCUPAENRSCPHBM-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C(=O)(C1=C(O)C=CC(O)=C1)OCC |