| SpectraBase Compound ID | IikgOApiWfD |
|---|---|
| InChI | InChI=1S/C12H16O2S/c13-12(9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2 |
| InChIKey | NDWNUXBDRYINQJ-UHFFFAOYSA-N |
| Mol Weight | 224.32 g/mol |
| Molecular Formula | C12H16O2S |
| Exact Mass | 224.087101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pDFwVWPlch |
|---|---|
| Name | 2-Thiopheneacetic acid, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.087100927 u |
| Formula | C12H16O2S |
| InChI | InChI=1S/C12H16O2S/c13-12(9-11-7-4-8-15-11)14-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2 |
| InChIKey | NDWNUXBDRYINQJ-UHFFFAOYSA-N |
| Molecular Weight | 224.318 g/mol |
| SMILES | C1CCCCC1OC(=O)CC=1SC=CC1 |