SpectraBase Compound ID | KGeoNIMuHFh |
---|---|
InChI | InChI=1S/C6HCl4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
InChIKey | OUOGYOBZKZJEQN-UHFFFAOYSA-N |
Mol Weight | 341.8 g/mol |
Molecular Formula | C6HCl4I |
Exact Mass | 339.787706 g/mol |
SpectraBase Spectrum ID | F8e1bxr63lz |
---|---|
Name | 2,3,5,6-Tetrachloroiodobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 339.787705832 u |
Formula | C6HCl4I |
InChI | InChI=1S/C6HCl4I/c7-2-1-3(8)5(10)6(11)4(2)9/h1H |
InChIKey | OUOGYOBZKZJEQN-UHFFFAOYSA-N |
Molecular Weight | 341.790 g/mol |
SMILES | C1(=C(C(=C(C(=C1)Cl)Cl)I)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901568 |