![Acetic acid, [(1,1-dimethylethyl)thio]-](/api/spectrum/Lmb9iKwcvHl/structure.png?h=300&w=458 "Acetic acid, [(1,1-dimethylethyl)thio]-")
| SpectraBase Compound ID | 4HgEEif5S98 |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8) |
| InChIKey | JXOAXKCHGMRTGL-UHFFFAOYSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Lmb9iKwcvHl |
|---|---|
| Name | Acetic acid,[(1,1-dimethylethyl)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/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8) |
| InChIKey | JXOAXKCHGMRTGL-UHFFFAOYSA-N |
| SMILES | OC(CSC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.97971 |