| SpectraBase Compound ID | 2kSL3rFqCvv |
|---|---|
| InChI | InChI=1S/C4H6N2O/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) |
| InChIKey | PXHFWPOPKVWXQT-UHFFFAOYSA-N |
| Mol Weight | 98.1 g/mol |
| Molecular Formula | C4H6N2O |
| Exact Mass | 98.048013 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3a2ygoYVoIj |
|---|---|
| Name | 2,3-2H-4-Methyl-imidazole-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.048012820 u |
| Formula | C4H6N2O |
| InChI | InChI=1S/C4H6N2O/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7) |
| InChIKey | PXHFWPOPKVWXQT-UHFFFAOYSA-N |
| Molecular Weight | 98.105 g/mol |
| SMILES | C1=CN(C)C(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85579 |