| SpectraBase Compound ID | FfE3LJtyMtR |
|---|---|
| InChI | InChI=1S/C5H12OS/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | BQFFCKMCUHRYIN-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 | 4TpmEyWLLCQ |
|---|---|
| Name | 1-Methylthio-3-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/c1-5(6)3-4-7-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | BQFFCKMCUHRYIN-UHFFFAOYSA-N |
| Molecular Weight | 120.210 g/mol |
| SMILES | C(CC(C)O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963114 |