| SpectraBase Spectrum ID |
KIVSFyouYBT |
| Name |
(E)-1-(3-Bromophenyl)-5-[(E)-3-phenylallylidene]pyrimidine-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 |
396.010955284 u |
| Formula |
C19H13BrN2O3 |
| InChI |
InChI=1S/C19H13BrN2O3/c20-14-9-5-10-15(12-14)22-18(24)16(17(23)21-19(22)25)11-4-8-13-6-2-1-3-7-13/h1-12H,(H,21,23,25)/b8-4+,16-11+ |
| InChIKey |
DWKJOMUITFWORA-MBXCTOFRSA-N |
| Molecular Weight |
397.228 g/mol |
| SMILES |
C1(NC(\C(C(N1C1=CC(=CC=C1)Br)=O)=C/C=C/C1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890986 |
![(E)-1-(3-Bromophenyl)-5-[(E)-3-phenylallylidene]pyrimidine-2,4,6(1H,3H,5H)-trione](/api/spectrum/KIVSFyouYBT/structure.png?h=300&w=458 "(E)-1-(3-Bromophenyl)-5-[(E)-3-phenylallylidene]pyrimidine-2,4,6(1H,3H,5H)-trione")
