| SpectraBase Spectrum ID |
EzZzh61G2de |
| Name |
6-Allyl-6-benzyl-4-(4-bromobenzyl)piperazin-2,3,5-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.057905477 u |
| Formula |
C21H19BrN2O3 |
| InChI |
InChI=1S/C21H19BrN2O3/c1-2-12-21(13-15-6-4-3-5-7-15)20(27)24(19(26)18(25)23-21)14-16-8-10-17(22)11-9-16/h2-11H,1,12-14H2,(H,23,25) |
| InChIKey |
LHNAODRMOYZDOJ-UHFFFAOYSA-N |
| Molecular Weight |
427.298 g/mol |
| SMILES |
C1(N(C(C(NC1(CC1=CC=CC=C1)CC=C)=O)=O)CC=1C=CC(=CC1)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872768 |
