| SpectraBase Compound ID | 3oFl0l8eY40 |
|---|---|
| InChI | InChI=1S/C5H7N3O2/c1-3(9)8-4(2-6)5(7)10/h4H,1H3,(H2,7,10)(H,8,9) |
| InChIKey | AYEWMEZOBFGNOD-UHFFFAOYSA-N |
| Mol Weight | 141.13 g/mol |
| Molecular Formula | C5H7N3O2 |
| Exact Mass | 141.053826 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4giyP3W8Lkd |
|---|---|
| Name | 2-Acetylamino-2-cyano-acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.053826475 u |
| Formula | C5H7N3O2 |
| InChI | InChI=1S/C5H7N3O2/c1-3(9)8-4(2-6)5(7)10/h4H,1H3,(H2,7,10)(H,8,9) |
| InChIKey | AYEWMEZOBFGNOD-UHFFFAOYSA-N |
| Molecular Weight | 141.130 g/mol |
| SMILES | C(C(=O)N)(NC(C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979552 |