| SpectraBase Spectrum ID |
ILhXB9shqty |
| Name |
4-Methyl-2,6-diphenyl-2,6,7-triazabicyclo-[2.2.2]-octane-3,5,8-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.111341352 u |
| Formula |
C18H15N3O3 |
| InChI |
InChI=1S/C18H15N3O3/c1-18-14(22)19-17(20(15(18)23)12-8-4-2-5-9-12)21(16(18)24)13-10-6-3-7-11-13/h2-11,17H,1H3,(H,19,22)/t17-,18+ |
| InChIKey |
BTXUIGDXUIHDQW-HDICACEKSA-N |
| Molecular Weight |
321.336 g/mol |
| SMILES |
[C@]12(N(C([C@](C(N2C2=CC=CC=C2)=O)(C(N1)=O)C)=O)C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973939 |
![4-Methyl-2,6-diphenyl-2,6,7-triazabicyclo-[2.2.2]-octane-3,5,8-trione](/api/spectrum/ILhXB9shqty/structure.png?h=300&w=458 "4-Methyl-2,6-diphenyl-2,6,7-triazabicyclo-[2.2.2]-octane-3,5,8-trione")
