| SpectraBase Compound ID | IJGjPNGGKqz |
|---|---|
| InChI | InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(11)10-8(12)9-6/h5H,2-4H2,1H3,(H2,9,10,11,12) |
| InChIKey | UHODQYFUUAKCLL-UHFFFAOYSA-N |
| Mol Weight | 168.2 g/mol |
| Molecular Formula | C8H12N2O2 |
| Exact Mass | 168.089878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K0kEVQfEvm0 |
|---|---|
| Name | 6-Butyl-1H-pyrimidine-2,4-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.089877632 u |
| Formula | C8H12N2O2 |
| InChI | InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(11)10-8(12)9-6/h5H,2-4H2,1H3,(H2,9,10,11,12) |
| InChIKey | UHODQYFUUAKCLL-UHFFFAOYSA-N |
| Molecular Weight | 168.196 g/mol |
| SMILES | C1(NC(=CC(N1)=O)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963815 |