![1-[3-(1,1-Dimethylethylthio)propyl]cyclohexanol](/api/spectrum/4W4MFWzQHef/structure.png?h=300&w=458 "1-[3-(1,1-Dimethylethylthio)propyl]cyclohexanol")
| SpectraBase Compound ID | KAbBfZqEqZk |
|---|---|
| InChI | InChI=1S/C13H26OS/c1-12(2,3)15-11-7-10-13(14)8-5-4-6-9-13/h14H,4-11H2,1-3H3 |
| InChIKey | GTOQJVKAUBWULY-UHFFFAOYSA-N |
| Mol Weight | 230.41 g/mol |
| Molecular Formula | C13H26OS |
| Exact Mass | 230.170437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4W4MFWzQHef |
|---|---|
| Name | 1-[3-(1,1-Dimethylethylthio)propyl]cyclohexanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.170436630 u |
| Formula | C13H26OS |
| InChI | InChI=1S/C13H26OS/c1-12(2,3)15-11-7-10-13(14)8-5-4-6-9-13/h14H,4-11H2,1-3H3 |
| InChIKey | GTOQJVKAUBWULY-UHFFFAOYSA-N |
| Molecular Weight | 230.410 g/mol |
| SMILES | C1(CCCCC1)(O)CCCSC(C)(C)C |