| SpectraBase Compound ID | B5EEQEuvVGe |
|---|---|
| InChI | InChI=1S/C4H6N2O/c1-3-5-2-4(7)6-3/h2H2,1H3,(H,5,6,7) |
| InChIKey | BMXVNDCWQYPPAB-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 | AhchVMULm8W |
|---|---|
| Name | 4,5-Dihydro-2-methylimidazole-4-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/c1-3-5-2-4(7)6-3/h2H2,1H3,(H,5,6,7) |
| InChIKey | BMXVNDCWQYPPAB-UHFFFAOYSA-N |
| Molecular Weight | 98.105 g/mol |
| SMILES | CC=1NCC(=O)N1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880743 |