| SpectraBase Compound ID | 3brZKjga4z |
|---|---|
| InChI | InChI=1S/C5H12OS/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3 |
| InChIKey | QBYYSQQYPUMFOX-UHFFFAOYSA-N |
| Mol Weight | 120.21 g/mol |
| Molecular Formula | C5H12OS |
| Exact Mass | 120.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5meLTFiYiGr |
|---|---|
| Name | 2-Mercapto-3-methyl-1-butanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 120.060886179 u |
| Formula | C5H12OS |
| InChI | InChI=1S/C5H12OS/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3 |
| InChIKey | QBYYSQQYPUMFOX-UHFFFAOYSA-N |
| Molecular Weight | 120.210 g/mol |
| SMILES | C(S)(C(C)C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869373 |