| SpectraBase Spectrum ID |
FJYWrp76dMc |
| Name |
2-(3,4,5-Trichlorophenyl)isoindoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.946411535 u |
| Formula |
C14H6Cl3NO2 |
| InChI |
InChI=1S/C14H6Cl3NO2/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H |
| InChIKey |
STAUHFKKYJZTIX-UHFFFAOYSA-N |
| Molecular Weight |
326.566 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)C=1C=C(Cl)C(=C(C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90403 |
