| SpectraBase Compound ID | IrabWfPSIMJ |
|---|---|
| InChI | InChI=1S/C6H8N2O/c1-5(3-7)4-8-6(2)9/h1,4H2,2H3,(H,8,9) |
| InChIKey | YWKIEURRMMGIMW-UHFFFAOYSA-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 | 5lxoZML5sAx |
|---|---|
| Name | N-(2-Cyanoallyl)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(3-7)4-8-6(2)9/h1,4H2,2H3,(H,8,9) |
| InChIKey | YWKIEURRMMGIMW-UHFFFAOYSA-N |
| Molecular Weight | 124.143 g/mol |
| SMILES | C(#N)C(=C)CNC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972903 |