| SpectraBase Compound ID | 8HU4KQNpBGM |
|---|---|
| InChI | InChI=1S/C5H9NO2S/c1-4(7)5(8)6-2-3-9/h9H,2-3H2,1H3,(H,6,8) |
| InChIKey | XNMJFGJBLHKYFY-UHFFFAOYSA-N |
| Mol Weight | 147.19 g/mol |
| Molecular Formula | C5H9NO2S |
| Exact Mass | 147.0354 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6MLBh1X6Jfz |
|---|---|
| Name | N-(2-Sulfanylethyl)-2-oxopropanamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.035399706 u |
| Formula | C5H9NO2S |
| InChI | InChI=1S/C5H9NO2S/c1-4(7)5(8)6-2-3-9/h9H,2-3H2,1H3,(H,6,8) |
| InChIKey | XNMJFGJBLHKYFY-UHFFFAOYSA-N |
| Molecular Weight | 147.192 g/mol |
| SMILES | CC(C(=O)NCCS)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981157 |