| SpectraBase Spectrum ID |
2BfncZiyMdZ |
| Name |
5-[(4-Fluorophenyl)carbonyl]-1,3,6-trimethylpyrimidine-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.091020447 u |
| Formula |
C14H13FN2O3 |
| InChI |
InChI=1S/C14H13FN2O3/c1-8-11(13(19)17(3)14(20)16(8)2)12(18)9-4-6-10(15)7-5-9/h4-7H,1-3H3 |
| InChIKey |
FWIMVUFNQUIMHQ-UHFFFAOYSA-N |
| Molecular Weight |
276.267 g/mol |
| SMILES |
C1=CC(=CC=C1C(=O)C=1C(N(C(N(C1C)C)=O)C)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9031 |
