| SpectraBase Compound ID | GZukR8uHua5 |
|---|---|
| InChI | InChI=1S/C7H12N2O/c1-2-3-6-9-7(10)4-5-8/h2-4,6H2,1H3,(H,9,10) |
| InChIKey | MGZNARROBKPUST-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 | 7d41cHqA3KF |
|---|---|
| Name | N-Butyl-2-cyanoacetamide |
| 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/c1-2-3-6-9-7(10)4-5-8/h2-4,6H2,1H3,(H,9,10) |
| InChIKey | MGZNARROBKPUST-UHFFFAOYSA-N |
| Molecular Weight | 140.186 g/mol |
| SMILES | C(#N)CC(=O)NCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959378 |