| SpectraBase Compound ID | 8mHjjYpYkK8 |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3 |
| InChIKey | HJJHJUWCICDDEL-UHFFFAOYSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1QfAC1hUEsh |
|---|---|
| Name | Methyl 3-(methylthio)butanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.055800798 u |
| Formula | C6H12O2S |
| InChI | InChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3 |
| InChIKey | HJJHJUWCICDDEL-UHFFFAOYSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | CC(CC(OC)=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911367 |