| SpectraBase Compound ID | BBV0vGmbioc |
|---|---|
| InChI | InChI=1S/C12H18O2S/c1-2-3-4-5-8-14-12(13)10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3 |
| InChIKey | NSRDDNKOKZXXKW-UHFFFAOYSA-N |
| Mol Weight | 226.33 g/mol |
| Molecular Formula | C12H18O2S |
| Exact Mass | 226.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UgVQrCZRvh |
|---|---|
| Name | 2-Thiopheneacetic acid, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.102750992 u |
| Formula | C12H18O2S |
| InChI | InChI=1S/C12H18O2S/c1-2-3-4-5-8-14-12(13)10-11-7-6-9-15-11/h6-7,9H,2-5,8,10H2,1H3 |
| InChIKey | NSRDDNKOKZXXKW-UHFFFAOYSA-N |
| Molecular Weight | 226.334 g/mol |
| SMILES | CCCCCCOC(=O)CC=1SC=CC1 |