| SpectraBase Compound ID | 9DevUlqABH0 |
|---|---|
| InChI | InChI=1S/C6H8N2O/c1-5(3-4-7)8-6(2)9/h3H,1-2H3,(H,8,9)/b5-3- |
| InChIKey | VSLUIRRPKVCEFX-HYXAFXHYSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C6H8N2O |
| Exact Mass | 124.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8xmo6T1fHvr |
|---|---|
| Name | N-(2-Cyano-1-methylvinyl)acetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.063662885 u |
| Formula | C6H8N2O |
| InChI | InChI=1S/C6H8N2O/c1-5(3-4-7)8-6(2)9/h3H,1-2H3,(H,8,9)/b5-3- |
| InChIKey | VSLUIRRPKVCEFX-HYXAFXHYSA-N |
| Molecular Weight | 124.143 g/mol |
| SMILES | C(=O)(N\C(C)=C\C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870254 |