| SpectraBase Spectrum ID |
I6QBJiNZZ5b |
| Name |
2-(2-{(E)-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-3-phenyl-aziridin-1-yl)-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.117155007 u |
| Formula |
C25H16N4O4 |
| InChI |
InChI=1S/C25H16N4O4/c30-22-16-10-4-5-11-17(16)23(31)27(22)26-14-20-21(15-8-2-1-3-9-15)28(20)29-24(32)18-12-6-7-13-19(18)25(29)33/h1-14,20-21H/b26-14+ |
| InChIKey |
IUJILNCXWSHIJS-VULFUBBASA-N |
| Molecular Weight |
436.427 g/mol |
| SMILES |
C1(N(N2C(\C=N\N3C(C=4C=CC=CC4C3=O)=O)C2C=2C=CC=CC2)C(C=2C=CC=CC12)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958564 |
![2-(2-{(E)-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-3-phenyl-aziridin-1-yl)-1H-isoindole-1,3(2H)-dione](/api/spectrum/I6QBJiNZZ5b/structure.png?h=300&w=458 "2-(2-{(E)-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)imino]methyl}-3-phenyl-aziridin-1-yl)-1H-isoindole-1,3(2H)-dione")
