| SpectraBase Spectrum ID |
3sPpvG6QNZz |
| Name |
2-(2-Acetyl-3-phenylaziridin-1-yl)isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.100442316 u |
| Formula |
C18H14N2O3 |
| InChI |
InChI=1S/C18H14N2O3/c1-11(21)15-16(12-7-3-2-4-8-12)19(15)20-17(22)13-9-5-6-10-14(13)18(20)23/h2-10,15-16H,1H3 |
| InChIKey |
DQUPQKKKHQVSNA-UHFFFAOYSA-N |
| SMILES |
C1=C2C(=CC=C1)C(=O)N(C2=O)N1C(C(C)=O)C1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943425 |
