| SpectraBase Compound ID | 4mQt6Mr9LjP |
|---|---|
| InChI | InChI=1S/C13H12O2S/c1-10-5-2-3-7-12(10)15-13(14)9-11-6-4-8-16-11/h2-8H,9H2,1H3 |
| InChIKey | XWAMSRZVCUBNFJ-UHFFFAOYSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C13H12O2S |
| Exact Mass | 232.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1F5sz1Ia1tV |
|---|---|
| Name | 2-Thiopheneacetic acid, 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.055800798 u |
| Formula | C13H12O2S |
| InChI | InChI=1S/C13H12O2S/c1-10-5-2-3-7-12(10)15-13(14)9-11-6-4-8-16-11/h2-8H,9H2,1H3 |
| InChIKey | XWAMSRZVCUBNFJ-UHFFFAOYSA-N |
| Molecular Weight | 232.297 g/mol |
| SMILES | C1(=CC=CC=C1C)OC(=O)CC=1SC=CC1 |