| SpectraBase Spectrum ID |
DxoW4O6rX4t |
| Name |
3-(4-Chloro-benzyl)-1-(2-iodo-phenyl)-pyrrolidine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.967951361 u |
| Formula |
C17H13ClINO2 |
| InChI |
InChI=1S/C17H13ClINO2/c18-13-7-5-11(6-8-13)9-12-10-16(21)20(17(12)22)15-4-2-1-3-14(15)19/h1-8,12H,9-10H2 |
| InChIKey |
IKNJMRVYVUXVNO-UHFFFAOYSA-N |
| Molecular Weight |
425.653 g/mol |
| SMILES |
C1(=CC=C(C=C1)CC1C(N(C2=C(C=CC=C2)I)C(=O)C1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954342 |
