| SpectraBase Compound ID | H5TZQazK0Ue |
|---|---|
| InChI | InChI=1S/C5H8OS/c1-7-5-3-2-4-6/h6H,2,4H2,1H3 |
| InChIKey | YYYVYWHVUASADJ-UHFFFAOYSA-N |
| Mol Weight | 116.18 g/mol |
| Molecular Formula | C5H8OS |
| Exact Mass | 116.029586 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1drmvswCVbB |
|---|---|
| Name | 1-(Methylthio)but-1-yn-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.029586051 u |
| Formula | C5H8OS |
| InChI | InChI=1S/C5H8OS/c1-7-5-3-2-4-6/h6H,2,4H2,1H3 |
| InChIKey | YYYVYWHVUASADJ-UHFFFAOYSA-N |
| Molecular Weight | 116.178 g/mol |
| SMILES | CSC#CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890926 |