| SpectraBase Compound ID | EEVrXdtzRkc |
|---|---|
| InChI | InChI=1S/C5H8N2O/c1-4(3-6)7-5(2)8/h4H,1-2H3,(H,7,8) |
| InChIKey | BMCRVGWYOKWDBO-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C5H8N2O |
| Exact Mass | 112.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5t6qHZpvB4g |
|---|---|
| Name | 2-Aminopropanenitrile, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.063662885 u |
| Formula | C5H8N2O |
| InChI | InChI=1S/C5H8N2O/c1-4(3-6)7-5(2)8/h4H,1-2H3,(H,7,8) |
| InChIKey | BMCRVGWYOKWDBO-UHFFFAOYSA-N |
| Molecular Weight | 112.132 g/mol |
| SMILES | C(NC(C)=O)(C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883545 |