| SpectraBase Compound ID | sxRY1yjSoW |
|---|---|
| InChI | InChI=1S/C5H8N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H2,1H3,(H,6,8,9) |
| InChIKey | LPQUIFIUJKZJRT-UHFFFAOYSA-N |
| Mol Weight | 128.13 g/mol |
| Molecular Formula | C5H8N2O2 |
| Exact Mass | 128.058578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BAG6FfGK1w1 |
|---|---|
| Name | Hydrouracil, 1-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.058577504 u |
| Formula | C5H8N2O2 |
| InChI | InChI=1S/C5H8N2O2/c1-7-3-2-4(8)6-5(7)9/h2-3H2,1H3,(H,6,8,9) |
| InChIKey | LPQUIFIUJKZJRT-UHFFFAOYSA-N |
| SMILES | CN1C(=O)NC(CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938722 |