| SpectraBase Spectrum ID |
3OD2Yq0gOaQ |
| Name |
2,4-Dibenzyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.158291545 u |
| Formula |
C25H21N3O3 |
| InChI |
InChI=1S/C25H21N3O3/c29-22-15-23-26(16-18-9-3-1-4-10-18)24(30)27(17-19-11-5-2-6-12-19)25(31)28(23)21-14-8-7-13-20(21)22/h1-14,23H,15-17H2 |
| InChIKey |
FCBJZQPHTRBDDA-UHFFFAOYSA-N |
| Molecular Weight |
411.461 g/mol |
| SMILES |
C1(N(C(N2C(N1CC1=CC=CC=C1)CC(C1=C2C=CC=C1)=O)=O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949844 |
