| SpectraBase Spectrum ID |
KdoNkT8IvXZ |
| Name |
2,4,6(1H,3H)-Pyrimidinetrione, 5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-[(4-fluorophenyl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
509.922611066 u |
| Formula |
C19H13Br2FN2O4 |
| InChI |
InChI=1S/C19H13Br2FN2O4/c1-28-16-11(6-12(20)8-15(16)21)7-14-17(25)23-19(27)24(18(14)26)9-10-2-4-13(22)5-3-10/h2-8H,9H2,1H3,(H,23,25,27)/b14-7- |
| InChIKey |
ZUKJHVSEVLNOGG-AUWJEWJLSA-N |
| Molecular Weight |
512.129 g/mol |
| SMILES |
COC=1C(\C=C/2C(N(C(NC2=O)=O)CC2=CC=C(C=C2)F)=O)=CC(=CC1Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8551 |
![2,4,6(1H,3H)-Pyrimidinetrione, 5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-[(4-fluorophenyl)methyl]-](/api/spectrum/KdoNkT8IvXZ/structure.png?h=300&w=458 "2,4,6(1H,3H)-Pyrimidinetrione, 5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-[(4-fluorophenyl)methyl]-")
