| SpectraBase Compound ID | JExpEzzce79 |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-2-3-6-11-9(10)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | VUSZPSYSKPXZQL-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WBeRv7p56P |
|---|---|
| Name | 2-Thiophenecarboxylic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.055800798 u |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-2-3-6-11-9(10)8-5-4-7-12-8/h4-5,7H,2-3,6H2,1H3 |
| InChIKey | VUSZPSYSKPXZQL-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | C=1SC(=CC1)C(OCCCC)=O |