| SpectraBase Spectrum ID |
E8IqBexvzLh |
| Name |
Pyrimidine-2,4,6-trione, hexahydro-5-(6-fluoro-4-oxo-4H-chromen-3-ylmethylene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.033899491 u |
| Formula |
C14H7FN2O5 |
| InChI |
InChI=1S/C14H7FN2O5/c15-7-1-2-10-8(4-7)11(18)6(5-22-10)3-9-12(19)16-14(21)17-13(9)20/h1-5H,(H2,16,17,19,20,21) |
| InChIKey |
PFCBZDYBKJAILL-UHFFFAOYSA-N |
| Molecular Weight |
302.217 g/mol |
| SMILES |
C1(C(NC(NC1=O)=O)=O)=CC=1C(C2=C(C=CC(=C2)F)OC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982924 |
