| SpectraBase Compound ID | KRkaJvK8ZNd |
|---|---|
| InChI | InChI=1S/C11H11ClO5/c1-3-17-11(16)7-5(2)8(12)10(15)6(4-13)9(7)14/h4,14-15H,3H2,1-2H3 |
| InChIKey | QWBSIYICLWCIDS-UHFFFAOYSA-N |
| Mol Weight | 258.66 g/mol |
| Molecular Formula | C11H11ClO5 |
| Exact Mass | 258.029501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bdq1VJjRoV8 |
|---|---|
| Name | Ethyl 3-chloro-5-formyl-4,6-dihydroxy-2-methylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.029501149 u |
| Formula | C11H11ClO5 |
| InChI | InChI=1S/C11H11ClO5/c1-3-17-11(16)7-5(2)8(12)10(15)6(4-13)9(7)14/h4,14-15H,3H2,1-2H3 |
| InChIKey | QWBSIYICLWCIDS-UHFFFAOYSA-N |
| SMILES | C(C1=C(C(=C(C(=C1O)C=O)O)Cl)C)(=O)OCC |