| SpectraBase Spectrum ID |
IAsfCDiFVyV |
| Name |
5-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.005869903 u |
| Formula |
C14H13BrN2O4 |
| InChI |
InChI=1S/C14H13BrN2O4/c1-16-12(19)10(13(20)17(2)14(16)21)7-11(18)8-3-5-9(15)6-4-8/h3-6,10H,7H2,1-2H3 |
| InChIKey |
LXQRLJQKQYQDKS-UHFFFAOYSA-N |
| Molecular Weight |
353.172 g/mol |
| SMILES |
C1(N(C(C(C(N1C)=O)CC(C1=CC=C(C=C1)Br)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822907 |
![5-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione](/api/spectrum/IAsfCDiFVyV/structure.png?h=300&w=458 "5-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione")
