| SpectraBase Compound ID | 8TYfoLsecEw |
|---|---|
| InChI | InChI=1S/C6H14OS/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3 |
| InChIKey | AQSMJMVQKRNPHD-UHFFFAOYSA-N |
| Mol Weight | 134.24 g/mol |
| Molecular Formula | C6H14OS |
| Exact Mass | 134.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CPMEqEiP87J |
|---|---|
| Name | 3-Methyl-3-(methylthio)butan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.076536244 u |
| Formula | C6H14OS |
| InChI | InChI=1S/C6H14OS/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3 |
| InChIKey | AQSMJMVQKRNPHD-UHFFFAOYSA-N |
| SMILES | C(SC)(CCO)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824755 |