| SpectraBase Compound ID | 1GbytzCqf3f |
|---|---|
| InChI | InChI=1S/C3H4N2/c4-2-1-3-5/h1-2H,4H2/b2-1+ |
| InChIKey | RORTUEWWZUJHTM-OWOJBTEDSA-N |
| Mol Weight | 68.08 g/mol |
| Molecular Formula | C3H4N2 |
| Exact Mass | 68.037448 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5xEcM5aUkxw |
|---|---|
| Name | 3-Aminoacrylonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 68.037448137 u |
| Formula | C3H4N2 |
| InChI | InChI=1S/C3H4N2/c4-2-1-3-5/h1-2H,4H2/b2-1+ |
| InChIKey | RORTUEWWZUJHTM-OWOJBTEDSA-N |
| SMILES | C(\C=C\N)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975175 |