| SpectraBase Compound ID | 5QYZnhlmDuo |
|---|---|
| InChI | InChI=1S/C6H12OS/c1-6(7)4-3-5-8-2/h3,5-7H,4H2,1-2H3/b5-3- |
| InChIKey | IIITWVBSNBEZHT-HYXAFXHYSA-N |
| Mol Weight | 132.22 g/mol |
| Molecular Formula | C6H12OS |
| Exact Mass | 132.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KVro9feZ6GR |
|---|---|
| Name | 4-Penten-2-ol, 5-(methylthio)-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.060886179 u |
| Formula | C6H12OS |
| InChI | InChI=1S/C6H12OS/c1-6(7)4-3-5-8-2/h3,5-7H,4H2,1-2H3/b5-3- |
| InChIKey | IIITWVBSNBEZHT-HYXAFXHYSA-N |
| Molecular Weight | 132.221 g/mol |
| SMILES | OC(C)C\C=C/SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948276 |