| SpectraBase Compound ID | 6XK19wAzjxL |
|---|---|
| InChI | InChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3 |
| InChIKey | HYLLYJWFXKKKOW-UHFFFAOYSA-N |
| Mol Weight | 170.23 g/mol |
| Molecular Formula | C8H10O2S |
| Exact Mass | 170.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hY2qm3nClG |
|---|---|
| Name | 2-Thiophenecarboxylic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.040150734 u |
| Formula | C8H10O2S |
| InChI | InChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3 |
| InChIKey | HYLLYJWFXKKKOW-UHFFFAOYSA-N |
| Molecular Weight | 170.226 g/mol |
| SMILES | CCCOC(=O)C=1SC=CC1 |