| SpectraBase Compound ID | BUsBVmiWx7P |
|---|---|
| InChI | InChI=1S/C10H14O2S/c1-3-8(4-2)12-10(11)9-6-5-7-13-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | YAAVQMZZFNXBQE-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 | 4A2X5m28FW2 |
|---|---|
| Name | Thiophene-2-carboxylic acid, 3-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/c1-3-8(4-2)12-10(11)9-6-5-7-13-9/h5-8H,3-4H2,1-2H3 |
| InChIKey | YAAVQMZZFNXBQE-UHFFFAOYSA-N |
| Molecular Weight | 198.280 g/mol |
| SMILES | C1=CC=C(S1)C(=O)OC(CC)CC |