| SpectraBase Compound ID | J0YkewCL9ED |
|---|---|
| InChI | InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3H2,1-2H3/b7-5+ |
| InChIKey | RRDXQTFSZAXYAU-FNORWQNLSA-N |
| Mol Weight | 96.13 g/mol |
| Molecular Formula | C5H8N2 |
| Exact Mass | 96.068748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | N0CUlaRQwT |
|---|---|
| Name | 2-(N-Ethylimino)propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.068748266 u |
| Formula | C5H8N2 |
| InChI | InChI=1S/C5H8N2/c1-3-7-5(2)4-6/h3H2,1-2H3/b7-5+ |
| InChIKey | RRDXQTFSZAXYAU-FNORWQNLSA-N |
| Molecular Weight | 96.133 g/mol |
| SMILES | C(#N)\C(=N\CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861329 |