![Cyclohexanol, 1-[(phenylthio)methyl]-](/api/spectrum/KTgl4HgYGQN/structure.png?h=300&w=458 "Cyclohexanol, 1-[(phenylthio)methyl]-")
| SpectraBase Compound ID | EMiMrTojTHi |
|---|---|
| InChI | InChI=1S/C13H18OS/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2 |
| InChIKey | CRMGYVRRNGABTN-UHFFFAOYSA-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 | KTgl4HgYGQN |
|---|---|
| Name | Cyclohexanol, 1-[(phenylthio)methyl]- |
| 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/c14-13(9-5-2-6-10-13)11-15-12-7-3-1-4-8-12/h1,3-4,7-8,14H,2,5-6,9-11H2 |
| InChIKey | CRMGYVRRNGABTN-UHFFFAOYSA-N |
| Molecular Weight | 222.346 g/mol |
| SMILES | C1(CSC=2C=CC=CC2)(O)CCCCC1 |