| SpectraBase Spectrum ID |
Eqa45xclqP0 |
| Name |
(E)-2-(4-(4-Bromostyryl)phenoxy)-N-(1-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)propanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.068804513 u |
| Formula |
C22H20BrN3O3 |
| InChI |
InChI=1S/C22H20BrN3O3/c1-15(21(27)24-20-13-14-26(2)22(28)25-20)29-19-11-7-17(8-12-19)4-3-16-5-9-18(23)10-6-16/h3-15H,1-2H3,(H,24,25,27,28)/b4-3+ |
| InChIKey |
SOEINVHJDAVRRY-ONEGZZNKSA-N |
| Molecular Weight |
454.324 g/mol |
| SMILES |
C1=C(C=CC(=C1)\C=C\C1=CC=C(C=C1)OC(C(NC1=NC(N(C=C1)C)=O)=O)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894478 |
