| SpectraBase Spectrum ID |
IB1OlQYHINt |
| Name |
2-(3-Chloro-2-oxopropyl)-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 |
237.019270819 u |
| Formula |
C11H8ClNO3 |
| InChI |
InChI=1S/C11H8ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2 |
| InChIKey |
GUEXBHONHJVHTM-UHFFFAOYSA-N |
| Molecular Weight |
237.642 g/mol |
| SMILES |
C(Cl)C(=O)CN1C(=O)C2=C(C1=O)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877055 |
