| SpectraBase Compound ID | 8fCNMytOM7A |
|---|---|
| InChI | InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h2,4H,1,5H2/b7-4+ |
| InChIKey | ZOMSBCYUGYKMMZ-QPJJXVBHSA-N |
| Mol Weight | 94.12 g/mol |
| Molecular Formula | C5H6N2 |
| Exact Mass | 94.053098 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JZqYpUFRqLJ |
|---|---|
| Name | 2-(2-Propen-1-ylidene)aminoacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 94.053098201 u |
| Formula | C5H6N2 |
| InChI | InChI=1S/C5H6N2/c1-2-4-7-5-3-6/h2,4H,1,5H2/b7-4+ |
| InChIKey | ZOMSBCYUGYKMMZ-QPJJXVBHSA-N |
| Molecular Weight | 94.117 g/mol |
| SMILES | C=C\C=N\CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990932 |