| SpectraBase Compound ID | HpWHv8L7sDu |
|---|---|
| InChI | InChI=1S/C11H20S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-11H,1-9H2 |
| InChIKey | PPUJJIBLCWDZDN-UHFFFAOYSA-N |
| Mol Weight | 184.34 g/mol |
| Molecular Formula | C11H20S |
| Exact Mass | 184.128572 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2kY4wpkzAhg |
|---|---|
| Name | 3-Cyclohexylthiane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.128571818 u |
| Formula | C11H20S |
| InChI | InChI=1S/C11H20S/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h10-11H,1-9H2 |
| InChIKey | PPUJJIBLCWDZDN-UHFFFAOYSA-N |
| Molecular Weight | 184.341 g/mol |
| SMILES | C1CCC(CS1)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977905 |