| SpectraBase Compound ID | FPuu8OUg5av |
|---|---|
| InChI | InChI=1S/C13H18OS/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m0/s1 |
| InChIKey | KFEUHCXDITWBNA-STQMWFEESA-N |
| Mol Weight | 222.35 g/mol |
| Molecular Formula | C13H18OS |
| Exact Mass | 222.107836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bEwsTUF769 |
|---|---|
| Name | (1S,2S)-2-(Benzylsulfanyl)cyclohexanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.107836373 u |
| Formula | C13H18OS |
| InChI | InChI=1S/C13H18OS/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m0/s1 |
| InChIKey | KFEUHCXDITWBNA-STQMWFEESA-N |
| Molecular Weight | 222.346 g/mol |
| SMILES | [C@@]1([C@](CCCC1)(SCC=1C=CC=CC1)[H])(O)[H] |