| SpectraBase Compound ID | DFXzaptpKgI |
|---|---|
| InChI | InChI=1S/C4H6O2S/c1-3(5)4(6)2-7/h7H,2H2,1H3 |
| InChIKey | UVYDIXXUBXJMIF-UHFFFAOYSA-N |
| Mol Weight | 118.15 g/mol |
| Molecular Formula | C4H6O2S |
| Exact Mass | 118.008851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1Rj4JZdTJmn |
|---|---|
| Name | 2,3-Dioxobutanethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.008850605 u |
| Formula | C4H6O2S |
| InChI | InChI=1S/C4H6O2S/c1-3(5)4(6)2-7/h7H,2H2,1H3 |
| InChIKey | UVYDIXXUBXJMIF-UHFFFAOYSA-N |
| Molecular Weight | 118.150 g/mol |
| SMILES | CC(C(CS)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962158 |