![Acetic acid, [(1-methylethyl)thio]-](/api/spectrum/6opRmZWdURS/structure.png?h=300&w=458 "Acetic acid, [(1-methylethyl)thio]-")
| SpectraBase Compound ID | 1AZner0EtBH |
|---|---|
| InChI | InChI=1S/C5H10O2S/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey | FTHCMTYOZSIHJL-UHFFFAOYSA-N |
| Mol Weight | 134.19 g/mol |
| Molecular Formula | C5H10O2S |
| Exact Mass | 134.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6opRmZWdURS |
|---|---|
| Name | Acetic acid, [(1-methylethyl)thio]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 134.040150734 u |
| Formula | C5H10O2S |
| InChI | InChI=1S/C5H10O2S/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey | FTHCMTYOZSIHJL-UHFFFAOYSA-N |
| Molecular Weight | 134.193 g/mol |
| SMILES | C(SC(C)C)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893056 |