| SpectraBase Spectrum ID |
4pi58z94sjl |
| Name |
1-[p-Bromophenacyl]-4-[5-phenyl-4-oxo-2-oxazolin-2-yl]piperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.068804513 u |
| Formula |
C21H20BrN3O3 |
| InChI |
InChI=1S/C21H20BrN3O3/c22-17-8-6-15(7-9-17)18(26)14-24-10-12-25(13-11-24)21-23-20(27)19(28-21)16-4-2-1-3-5-16/h1-9,19H,10-14H2 |
| InChIKey |
NNIZTMSDRSRDKW-UHFFFAOYSA-N |
| Molecular Weight |
442.313 g/mol |
| SMILES |
C1N(CCN(C1)CC(C1=CC=C(C=C1)Br)=O)C1=NC(C(C2=CC=CC=C2)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859439 |
![1-[p-Bromophenacyl]-4-[5-phenyl-4-oxo-2-oxazolin-2-yl]piperazine](/api/spectrum/4pi58z94sjl/structure.png?h=300&w=458 "1-[p-Bromophenacyl]-4-[5-phenyl-4-oxo-2-oxazolin-2-yl]piperazine")
