| SpectraBase Compound ID | FtBeA66yEPp |
|---|---|
| InChI | InChI=1S/C10H14O2S/c1-8(2)5-6-12-10(11)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3 |
| InChIKey | DIGXFRGGMHHNDK-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 | EzBW22s5NIm |
|---|---|
| Name | 2-Thiophenecarboxylic acid, isopentyl 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/c1-8(2)5-6-12-10(11)9-4-3-7-13-9/h3-4,7-8H,5-6H2,1-2H3 |
| InChIKey | DIGXFRGGMHHNDK-UHFFFAOYSA-N |
| Molecular Weight | 198.280 g/mol |
| SMILES | C=1(C(OCCC(C)C)=O)SC=CC1 |