| SpectraBase Compound ID | 57bGnAsKcNe |
|---|---|
| InChI | InChI=1S/C9H10O4/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,10-11H,1H3 |
| InChIKey | DHPYYPJMQRYNLX-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 | 2g2s0fiufzz |
|---|---|
| Name | Benzeneacetic acid, .alpha.,4-dihydroxy-, methyl 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/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,10-11H,1H3 |
| InChIKey | DHPYYPJMQRYNLX-UHFFFAOYSA-N |
| Molecular Weight | 182.175 g/mol |
| SMILES | C1(O)=CC=C(C(C(=O)OC)O)C=C1 |