| SpectraBase Compound ID | Ig8eDfuENld |
|---|---|
| InChI | InChI=1S/C9H9IO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2H2,1H3 |
| InChIKey | WDPARRIZBQXPSL-UHFFFAOYSA-N |
| Mol Weight | 292.07 g/mol |
| Molecular Formula | C9H9IO3 |
| Exact Mass | 291.959639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9pn1LNOytM3 |
|---|---|
| Name | 3-Hydroxy-4-iodo-benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.959639147 u |
| Formula | C9H9IO3 |
| InChI | InChI=1S/C9H9IO3/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,11H,2H2,1H3 |
| InChIKey | WDPARRIZBQXPSL-UHFFFAOYSA-N |
| Molecular Weight | 292.072 g/mol |
| SMILES | C(C=1C=C(C(=CC1)I)O)(=O)OCC |