| SpectraBase Compound ID | KY8JWmA02r3 |
|---|---|
| InChI | InChI=1S/C12H8O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15) |
| InChIKey | KPJANWLDEVDGEA-UHFFFAOYSA-N |
| Mol Weight | 232.25 g/mol |
| Molecular Formula | C12H8O3S |
| Exact Mass | 232.019415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3vug8o559X |
|---|---|
| Name | 2-(2-Thienylcarbonyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.019415289 u |
| Formula | C12H8O3S |
| InChI | InChI=1S/C12H8O3S/c13-11(10-6-3-7-16-10)8-4-1-2-5-9(8)12(14)15/h1-7H,(H,14,15) |
| InChIKey | KPJANWLDEVDGEA-UHFFFAOYSA-N |
| Molecular Weight | 232.253 g/mol |
| SMILES | C=1(SC=CC1)C(=O)C1=C(C=CC=C1)C(=O)O |