| SpectraBase Spectrum ID |
H7XwGNK5FuN |
| Name |
syn-7,8-Diazabicyclo[2.2.2]oct-5-ene-2,3,7,8-tetracarboxylic acid bis-N-phenylimide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.117155007 u |
| Formula |
C22H16N4O4 |
| InChI |
InChI=1S/C22H16N4O4/c27-19-17-15-11-12-16(18(17)20(28)23(19)13-7-3-1-4-8-13)26-22(30)24(21(29)25(15)26)14-9-5-2-6-10-14/h1-12,15-18H |
| InChIKey |
GUKVUICNKWPUIW-UHFFFAOYSA-N |
| Molecular Weight |
400.394 g/mol |
| SMILES |
C1(N2N(C(N1C=1C=CC=CC1)=O)C1C3C(C2C=C1)C(N(C3=O)C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866561 |
![syn-7,8-diazabicyclo[2.2.2]oct-5-ene-2,3,7,8-tetracarboxylic acid bis-N-phenylimide](/api/spectrum/H7XwGNK5FuN/structure.png?h=300&w=458 "syn-7,8-diazabicyclo[2.2.2]oct-5-ene-2,3,7,8-tetracarboxylic acid bis-N-phenylimide")
