| SpectraBase Spectrum ID |
5eC20xnVwkG |
| Name |
N-Methyl-5-fluoro-5-ethyl-2,4,6-pyrimidinetrione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.059720318 u |
| Formula |
C7H9FN2O3 |
| InChI |
InChI=1S/C7H9FN2O3/c1-3-7(8)4(11)9-6(13)10(2)5(7)12/h3H2,1-2H3,(H,9,11,13) |
| InChIKey |
QXNDMQJLXOMPJF-UHFFFAOYSA-N |
| Molecular Weight |
188.158 g/mol |
| SMILES |
C1(N(C(C(C(N1)=O)(F)CC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974691 |
