| SpectraBase Compound ID | BSnyhV2PRAQ |
|---|---|
| InChI | InChI=1S/C14H20O2S/c1-2-11-6-3-4-8-13(11)16-14(15)10-12-7-5-9-17-12/h5,7,9,11,13H,2-4,6,8,10H2,1H3 |
| InChIKey | SONZIMAZHCICGR-UHFFFAOYSA-N |
| Mol Weight | 252.37 g/mol |
| Molecular Formula | C14H20O2S |
| Exact Mass | 252.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jJNJ8lEJqN |
|---|---|
| Name | 2-Thiopheneacetic acid, 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.118401056 u |
| Formula | C14H20O2S |
| InChI | InChI=1S/C14H20O2S/c1-2-11-6-3-4-8-13(11)16-14(15)10-12-7-5-9-17-12/h5,7,9,11,13H,2-4,6,8,10H2,1H3 |
| InChIKey | SONZIMAZHCICGR-UHFFFAOYSA-N |
| Molecular Weight | 252.372 g/mol |
| SMILES | CCC1CCCCC1OC(=O)CC=1SC=CC1 |