| SpectraBase Spectrum ID |
44kPhzu0JJJ |
| Name |
Isoindole-1,3(1H,3H)-dione, 2-[(2-phenylethynyl)aziridin-1-yl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.089877632 u |
| Formula |
C18H12N2O2 |
| InChI |
InChI=1S/C18H12N2O2/c21-17-15-8-4-5-9-16(15)18(22)20(17)19-12-14(19)11-10-13-6-2-1-3-7-13/h1-9,14H,12H2 |
| InChIKey |
RZALEZGYCNPSGB-UHFFFAOYSA-N |
| SMILES |
C1=CC=C(C=C1)C#CC1N(N2C(C3=CC=CC=C3C2=O)=O)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96716 |
![Isoindole-1,3(1H,3H)-dione, 2-[(2-phenylethynyl)aziridin-1-yl]-](/api/spectrum/44kPhzu0JJJ/structure.png?h=300&w=458 "Isoindole-1,3(1H,3H)-dione, 2-[(2-phenylethynyl)aziridin-1-yl]-")
