| SpectraBase Compound ID | JVTQ8bxNaSf |
|---|---|
| InChI | InChI=1S/C4H5NO2S/c6-3-1-2-8-4(7)5-3/h1-2H2,(H,5,6,7) |
| InChIKey | QNQQQPPRZAFLII-UHFFFAOYSA-N |
| Mol Weight | 131.15 g/mol |
| Molecular Formula | C4H5NO2S |
| Exact Mass | 131.0041 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EIn8EBFaO3S |
|---|---|
| Name | 1,3-Thiazinane-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 131.004099577 u |
| Formula | C4H5NO2S |
| InChI | InChI=1S/C4H5NO2S/c6-3-1-2-8-4(7)5-3/h1-2H2,(H,5,6,7) |
| InChIKey | QNQQQPPRZAFLII-UHFFFAOYSA-N |
| SMILES | C1(SCCC(N1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982043 |