| SpectraBase Compound ID | 3mnlYyOECxS |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-10-6-8-11(9-7-10)16(15)13-5-3-2-4-12(13)14/h6-9,12-14H,2-5H2,1H3/t12-,13-,16?/m0/s1 |
| InChIKey | NQEMHDDYIOYJSI-VORVDWIASA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BYyKphTr41X |
|---|---|
| Name | (S1,S2,rs)-2-p-Tolylsulfinylcyclohexanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.102750992 u |
| Formula | C13H18O2S |
| InChI | InChI=1S/C13H18O2S/c1-10-6-8-11(9-7-10)16(15)13-5-3-2-4-12(13)14/h6-9,12-14H,2-5H2,1H3/t12-,13-,16?/m0/s1 |
| InChIKey | NQEMHDDYIOYJSI-VORVDWIASA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | [C@]1(S(C2=CC=C(C=C2)C)=O)([C@@](O)(CCCC1)[H])[H] |