| SpectraBase Compound ID | 37gXVGRjo9H |
|---|---|
| InChI | InChI=1S/C4H6N2O3S/c1-10-4(9)6-3(8)2(5)7/h1H3,(H2,5,7)(H,6,8,9) |
| InChIKey | JZRUNIBZGIVAFW-UHFFFAOYSA-N |
| Mol Weight | 162.16 g/mol |
| Molecular Formula | C4H6N2O3S |
| Exact Mass | 162.009913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8QHjae74YDb |
|---|---|
| Name | Oxamide, N-(methylthio)carbonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.009913232 u |
| Formula | C4H6N2O3S |
| InChI | InChI=1S/C4H6N2O3S/c1-10-4(9)6-3(8)2(5)7/h1H3,(H2,5,7)(H,6,8,9) |
| InChIKey | JZRUNIBZGIVAFW-UHFFFAOYSA-N |
| Molecular Weight | 162.163 g/mol |
| SMILES | C(=O)(SC)NC(=O)C(N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954524 |