| SpectraBase Spectrum ID |
2Em1zJu7nId |
| Name |
4-(2'-Cyanomethyleneindane-1',3'-dionyl)amino[2.2]paracyclophane |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.152477890 u |
| Formula |
C27H20N2O2 |
| InChI |
InChI=1S/C27H20N2O2/c28-16-24(25-26(30)21-3-1-2-4-22(21)27(25)31)29-23-15-19-10-9-17-5-7-18(8-6-17)11-13-20(23)14-12-19/h1-8,12,14-15,29H,9-11,13H2 |
| InChIKey |
AJBIBFQZYLKOGN-UHFFFAOYSA-N |
| Molecular Weight |
404.469 g/mol |
| SMILES |
C1=CC2=CC=C1CCC1=C(NC(=C3C(C4=C(C3=O)C=CC=C4)=O)C#N)C=C(C=C1)CC2 |
![4-(2'-Cyanomethyleneindane-1',3'-dionyl)amino[2.2]paracyclophane](/api/spectrum/2Em1zJu7nId/structure.png?h=300&w=458 "4-(2'-Cyanomethyleneindane-1',3'-dionyl)amino[2.2]paracyclophane")
