| SpectraBase Compound ID | CoIHgf0iwIC |
|---|---|
| InChI | InChI=1S/C12H15ClOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1 |
| InChIKey | QVZIUDRMLJCUJN-RYUDHWBXSA-N |
| Mol Weight | 242.76 g/mol |
| Molecular Formula | C12H15ClOS |
| Exact Mass | 242.053214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjWLoM5nutZ |
|---|---|
| Name | (1S,2S)-2-(4-Chlorophenyl)sulfanylcyclohexan-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.053213976 u |
| Formula | C12H15ClOS |
| InChI | InChI=1S/C12H15ClOS/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h5-8,11-12,14H,1-4H2/t11-,12-/m0/s1 |
| InChIKey | QVZIUDRMLJCUJN-RYUDHWBXSA-N |
| Molecular Weight | 242.764 g/mol |
| SMILES | [C@]1(SC=2C=CC(=CC2)Cl)([C@@](O)(CCCC1)[H])[H] |