![Acetic acid, [(1-methylpropyl)thio]-](/api/spectrum/ETEELPtRi5H/structure.png?h=300&w=458 "Acetic acid, [(1-methylpropyl)thio]-")
| SpectraBase Compound ID | EhFLA0wH19u |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | QHFJJZPTJJVNMG-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 | ETEELPtRi5H |
|---|---|
| Name | Acetic acid, [(1-methylpropyl)thio]- |
| 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/c1-3-5(2)9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey | QHFJJZPTJJVNMG-UHFFFAOYSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | C(SCC(O)=O)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879616 |