| SpectraBase Spectrum ID |
Hvvtf3lAoUf |
| Name |
5-(3-Iodo-4,5-dimethoxy-benzylidene)-pyrimidine-2,4,6-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.971266457 u |
| Formula |
C13H11IN2O5 |
| InChI |
InChI=1S/C13H11IN2O5/c1-20-9-5-6(4-8(14)10(9)21-2)3-7-11(17)15-13(19)16-12(7)18/h3-5H,1-2H3,(H2,15,16,17,18,19) |
| InChIKey |
JEGWULPVQBMBGK-UHFFFAOYSA-N |
| Molecular Weight |
402.144 g/mol |
| SMILES |
C1(C=C2C(NC(=O)NC2=O)=O)=CC(=C(OC)C(=C1)I)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961639 |
