| SpectraBase Compound ID | GV3FaG3ocUR |
|---|---|
| InChI | InChI=1S/C9H5ClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12) |
| InChIKey | JETRXAHRPACNMA-UHFFFAOYSA-N |
| Mol Weight | 196.59 g/mol |
| Molecular Formula | C9H5ClO3 |
| Exact Mass | 195.992722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K60S5kjzsBx |
|---|---|
| Name | 5-Chlorobenzofuran-2-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.992721718 u |
| Formula | C9H5ClO3 |
| InChI | InChI=1S/C9H5ClO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12) |
| InChIKey | JETRXAHRPACNMA-UHFFFAOYSA-N |
| Molecular Weight | 196.589 g/mol |
| SMILES | C1(Cl)=CC2=C(OC(=C2)C(=O)O)C=C1 |