| SpectraBase Compound ID | 1FlLa27LPgT |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-3-7(2)11-9(10)8-5-4-6-12-8/h4-7H,3H2,1-2H3 |
| InChIKey | SPFKRVDHBZKQLH-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 | Bhuq6AK3kA8 |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 2-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/c1-3-7(2)11-9(10)8-5-4-6-12-8/h4-7H,3H2,1-2H3 |
| InChIKey | SPFKRVDHBZKQLH-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | CCC(C)OC(=O)C=1SC=CC1 |