| SpectraBase Compound ID | EsVQHK782lg |
|---|---|
| InChI | InChI=1S/C4H5N3O/c1-4(6-2-5)7-3-8/h3H,1H3,(H,6,7,8) |
| InChIKey | YPZNGNDOEXTKLS-UHFFFAOYSA-N |
| Mol Weight | 111.1 g/mol |
| Molecular Formula | C4H5N3O |
| Exact Mass | 111.043262 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9mbxuG9tNKV |
|---|---|
| Name | Cyano(formyl)acetamidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.043261792 u |
| Formula | C4H5N3O |
| InChI | InChI=1S/C4H5N3O/c1-4(6-2-5)7-3-8/h3H,1H3,(H,6,7,8) |
| InChIKey | YPZNGNDOEXTKLS-UHFFFAOYSA-N |
| Molecular Weight | 111.104 g/mol |
| SMILES | C(#N)N\C(=N\C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814002 |