| SpectraBase Compound ID | 24AxGLhcKfh |
|---|---|
| InChI | InChI=1S/C5H6N2O2/c1-3(8)4(2-6)5(7)9/h8H,1H3,(H2,7,9)/b4-3- |
| InChIKey | RABDQLJWMPZANR-ARJAWSKDSA-N |
| Mol Weight | 126.11 g/mol |
| Molecular Formula | C5H6N2O2 |
| Exact Mass | 126.042927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H11VXExN4r |
|---|---|
| Name | 2-Butenamide, 2-cyano-3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.042927439 u |
| Formula | C5H6N2O2 |
| InChI | InChI=1S/C5H6N2O2/c1-3(8)4(2-6)5(7)9/h8H,1H3,(H2,7,9)/b4-3- |
| InChIKey | RABDQLJWMPZANR-ARJAWSKDSA-N |
| Molecular Weight | 126.115 g/mol |
| SMILES | C(\C(C#N)=C\(O)C)(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867809 |