| SpectraBase Spectrum ID |
8DLo4mnKcdH |
| Name |
2-(3,4,5-Trichlorophenyl)-3A,4,7,7A-tetrahydro-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 |
328.977711664 u |
| Formula |
C14H10Cl3NO2 |
| InChI |
InChI=1S/C14H10Cl3NO2/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-2,5-6,8-9H,3-4H2 |
| InChIKey |
UQGZLTPPVYCJEA-UHFFFAOYSA-N |
| Molecular Weight |
330.598 g/mol |
| SMILES |
C1(N(C(C2CC=CCC12)=O)C=1C=C(Cl)C(=C(C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947333 |
