| SpectraBase Compound ID | DFDdCjCU5he |
|---|---|
| InChI | InChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2H2,1H3,(H2,5,6) |
| InChIKey | YGOBAQVJSUDQFU-UHFFFAOYSA-N |
| Mol Weight | 113.12 g/mol |
| Molecular Formula | C4H7N3O |
| Exact Mass | 113.058912 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AHwsPZ3Log9 |
|---|---|
| Name | 3-Methylglycocyamidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.058911856 u |
| Formula | C4H7N3O |
| InChI | InChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2H2,1H3,(H2,5,6) |
| InChIKey | YGOBAQVJSUDQFU-UHFFFAOYSA-N |
| Molecular Weight | 113.120 g/mol |
| SMILES | C=1(N(C(CN1)=O)C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9698 |