| SpectraBase Compound ID | A3SNGbpeQvi |
|---|---|
| InChI | InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12) |
| InChIKey | SAAWNQLNUJBOLW-UHFFFAOYSA-N |
| Mol Weight | 192.23 g/mol |
| Molecular Formula | C10H8O2S |
| Exact Mass | 192.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCzPivoutyf |
|---|---|
| Name | 1-Benzothien-2-ylacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.024500670 u |
| Formula | C10H8O2S |
| InChI | InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12) |
| InChIKey | SAAWNQLNUJBOLW-UHFFFAOYSA-N |
| Molecular Weight | 192.232 g/mol |
| SMILES | C1=2SC(=CC2C=CC=C1)CC(=O)O |