| SpectraBase Compound ID | 4rMfqUPOroZ |
|---|---|
| InChI | InChI=1S/C5H12S2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3 |
| InChIKey | VLSYQLPMYBNHCJ-UHFFFAOYSA-N |
| Mol Weight | 136.27 g/mol |
| Molecular Formula | C5H12S2 |
| Exact Mass | 136.038043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LcwldDz7q1F |
|---|---|
| Name | 1-Butanethiol, 4-(methylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.038042734 u |
| Formula | C5H12S2 |
| InChI | InChI=1S/C5H12S2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3 |
| InChIKey | VLSYQLPMYBNHCJ-UHFFFAOYSA-N |
| SMILES | CSCCCCS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959195 |