| SpectraBase Compound ID | DRhwemxymvR |
|---|---|
| InChI | InChI=1S/C7H14OS/c8-7-4-2-1-3-6(7)5-9/h6-9H,1-5H2/t6-,7-/m1/s1 |
| InChIKey | APZAIXMYPAQSIE-RNFRBKRXSA-N |
| Mol Weight | 146.25 g/mol |
| Molecular Formula | C7H14OS |
| Exact Mass | 146.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E82mYlVgBXI |
|---|---|
| Name | cis-2-(Mercaptomethyl)cyclohexanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.076536244 u |
| Formula | C7H14OS |
| InChI | InChI=1S/C7H14OS/c8-7-4-2-1-3-6(7)5-9/h6-9H,1-5H2/t6-,7-/m1/s1 |
| InChIKey | APZAIXMYPAQSIE-RNFRBKRXSA-N |
| SMILES | [C@@]1([C@](O)(CCCC1)[H])(CS)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824904 |