| SpectraBase Compound ID | 4NGmr1RyDl3 |
|---|---|
| InChI | InChI=1S/C7H12N2O/c1-3-4-7(5-8)9-6(2)10/h7H,3-4H2,1-2H3,(H,9,10) |
| InChIKey | GNMPNRWZFIKEIO-UHFFFAOYSA-N |
| Mol Weight | 140.19 g/mol |
| Molecular Formula | C7H12N2O |
| Exact Mass | 140.094963 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Wl9ThcgJyx |
|---|---|
| Name | 2-Aminopentanenitrile, N-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.094963013 u |
| Formula | C7H12N2O |
| InChI | InChI=1S/C7H12N2O/c1-3-4-7(5-8)9-6(2)10/h7H,3-4H2,1-2H3,(H,9,10) |
| InChIKey | GNMPNRWZFIKEIO-UHFFFAOYSA-N |
| Molecular Weight | 140.186 g/mol |
| SMILES | C(NC(C)=O)(CCC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976219 |