| SpectraBase Compound ID | 858k4KfY0BU |
|---|---|
| InChI | InChI=1S/C10H14O2S/c1-3-5-8(2)12-10(11)9-6-4-7-13-9/h4,6-8H,3,5H2,1-2H3 |
| InChIKey | LTQBTODSJQJHMV-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 | 4u5GgufiVe8 |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 2-pentyl 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/c1-3-5-8(2)12-10(11)9-6-4-7-13-9/h4,6-8H,3,5H2,1-2H3 |
| InChIKey | LTQBTODSJQJHMV-UHFFFAOYSA-N |
| Molecular Weight | 198.280 g/mol |
| SMILES | CCCC(C)OC(=O)C=1SC=CC1 |