| SpectraBase Compound ID | KWaTwHugZFl |
|---|---|
| InChI | InChI=1S/C6H12OS/c1-3-8-5-4-6(2)7/h3-5H2,1-2H3 |
| InChIKey | UPKQAWOHTVULTK-UHFFFAOYSA-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 | SryAG3SLOV |
|---|---|
| Name | 2-Butanone, 4-(ethylthio)- |
| 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/c1-3-8-5-4-6(2)7/h3-5H2,1-2H3 |
| InChIKey | UPKQAWOHTVULTK-UHFFFAOYSA-N |
| Molecular Weight | 132.221 g/mol |
| SMILES | CC(CCSCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970378 |