| SpectraBase Compound ID | HqTt7chGbgs |
|---|---|
| InChI | InChI=1S/C5H8N2O/c1-5(8)7(2)4-3-6/h4H2,1-2H3 |
| InChIKey | QITPLPZRGCEKHE-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 | AxxCVJzH0SN |
|---|---|
| Name | N-Cyanomethyl-N-methylacetamide |
| 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/c1-5(8)7(2)4-3-6/h4H2,1-2H3 |
| InChIKey | QITPLPZRGCEKHE-UHFFFAOYSA-N |
| Molecular Weight | 112.132 g/mol |
| SMILES | CN(C(C)=O)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976093 |