| SpectraBase Spectrum ID |
1p6Ep2UmfoF |
| Name |
1-(3',5'-Dibromo-4'-hydroxyphenyl)-5-bromo-6-methyl-2,4-dioxohexahydropyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.816331155 u |
| Formula |
C11H9Br3N2O3 |
| InChI |
InChI=1S/C11H9Br3N2O3/c1-4-8(14)10(18)15-11(19)16(4)5-2-6(12)9(17)7(13)3-5/h2-4,8,17H,1H3,(H,15,18,19) |
| InChIKey |
KBXDGMRAPIFNST-UHFFFAOYSA-N |
| Molecular Weight |
456.916 g/mol |
| SMILES |
C1(C(C(NC(N1C1=CC(=C(C(=C1)Br)O)Br)=O)=O)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880869 |
