| SpectraBase Compound ID | Gajh5TPGpz |
|---|---|
| InChI | InChI=1S/C10H14O2S/c1-3-8(2)7-12-10(11)9-5-4-6-13-9/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | IACDRQHDQCIZIG-UHFFFAOYSA-N |
| Mol Weight | 198.28 g/mol |
| Molecular Formula | C10H14O2S |
| Exact Mass | 198.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYjegliCrsE |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.071450863 u |
| Formula | C10H14O2S |
| InChI | InChI=1S/C10H14O2S/c1-3-8(2)7-12-10(11)9-5-4-6-13-9/h4-6,8H,3,7H2,1-2H3 |
| InChIKey | IACDRQHDQCIZIG-UHFFFAOYSA-N |
| Molecular Weight | 198.280 g/mol |
| SMILES | C(C1=CC=CS1)(=O)OCC(CC)C |