| SpectraBase Compound ID | BXzZ7A3xTCL |
|---|---|
| InChI | InChI=1S/C4H10OS/c1-2-4(5)3-6/h4-6H,2-3H2,1H3 |
| InChIKey | KUODZPPJVMDYTK-UHFFFAOYSA-N |
| Mol Weight | 106.18 g/mol |
| Molecular Formula | C4H10OS |
| Exact Mass | 106.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E2AB8cSOSnd |
|---|---|
| Name | 2-Butanol, 1-mercapto- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 106.045236115 u |
| Formula | C4H10OS |
| InChI | InChI=1S/C4H10OS/c1-2-4(5)3-6/h4-6H,2-3H2,1H3 |
| InChIKey | KUODZPPJVMDYTK-UHFFFAOYSA-N |
| Molecular Weight | 106.183 g/mol |
| SMILES | C(O)(CC)CS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875344 |