| SpectraBase Spectrum ID |
FpDjKS6r0Y7 |
| Name |
4,5,6,7-Tetrachloro-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 |
460.790522206 u |
| Formula |
C14H2Cl7NO2 |
| InChI |
InChI=1S/C14H2Cl7NO2/c15-4-1-3(2-5(16)8(4)17)22-13(23)6-7(14(22)24)10(19)12(21)11(20)9(6)18/h1-2H |
| InChIKey |
DQYUYLGCWJEMPF-UHFFFAOYSA-N |
| Molecular Weight |
464.346 g/mol |
| SMILES |
C1(N(C(C=2C(=C(C(=C(C12)Cl)Cl)Cl)Cl)=O)C=1C=C(Cl)C(=C(C1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939605 |
