| SpectraBase Compound ID | FXx8dMsfCAU |
|---|---|
| InChI | InChI=1S/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3 |
| InChIKey | NWLPRJINWFMRHH-UHFFFAOYSA-N |
| Mol Weight | 110.12 g/mol |
| Molecular Formula | C5H6N2O |
| Exact Mass | 110.048013 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D9kWMX7E2x6 |
|---|---|
| Name | 1-Methylpyrimidin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.048012820 u |
| Formula | C5H6N2O |
| InChI | InChI=1S/C5H6N2O/c1-7-3-2-5(8)6-4-7/h2-4H,1H3 |
| InChIKey | NWLPRJINWFMRHH-UHFFFAOYSA-N |
| Molecular Weight | 110.116 g/mol |
| SMILES | C1(N=CN(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957849 |