| SpectraBase Compound ID | 6XPI2cT8ID5 |
|---|---|
| InChI | InChI=1S/C4H7N3/c1-7(2)4-6-3-5/h4H,1-2H3/b6-4+ |
| InChIKey | QFHAGCRNENPASY-GQCTYLIASA-N |
| Mol Weight | 97.12 g/mol |
| Molecular Formula | C4H7N3 |
| Exact Mass | 97.063997 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 336GHaHlfoh |
|---|---|
| Name | Methanimidamide, N'-cyano-N,N-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 97.063997237 u |
| Formula | C4H7N3 |
| InChI | InChI=1S/C4H7N3/c1-7(2)4-6-3-5/h4H,1-2H3/b6-4+ |
| InChIKey | QFHAGCRNENPASY-GQCTYLIASA-N |
| Molecular Weight | 97.121 g/mol |
| SMILES | C(\N=C\N(C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888008 |