| SpectraBase Compound ID | 3Pooxl4hPVU |
|---|---|
| InChI | InChI=1S/C4H7NO2S/c1-3(6)8-2-4(5)7/h2H2,1H3,(H2,5,7) |
| InChIKey | KQJWTIOZZLQART-UHFFFAOYSA-N |
| Mol Weight | 133.16 g/mol |
| Molecular Formula | C4H7NO2S |
| Exact Mass | 133.01975 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HTx2SKLpRpO |
|---|---|
| Name | 2-(Acetylthio)acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 133.019749641 u |
| Formula | C4H7NO2S |
| InChI | InChI=1S/C4H7NO2S/c1-3(6)8-2-4(5)7/h2H2,1H3,(H2,5,7) |
| InChIKey | KQJWTIOZZLQART-UHFFFAOYSA-N |
| SMILES | C(C)(=O)SCC(=O)N |
| Spectrum/Structure Validation Score (Raman) | 0.950893 |