SpectraBase Compound ID | G2b07t144II |
---|---|
InChI | InChI=1S/C12H6Cl4/c13-7-4-5-8(11(16)6-7)12-9(14)2-1-3-10(12)15/h1-6H |
InChIKey | WVHNUGRFECMVLQ-UHFFFAOYSA-N |
Mol Weight | 292.0 g/mol |
Molecular Formula | C12H6Cl4 |
Exact Mass | 289.922361 g/mol |
SpectraBase Spectrum ID | 2pBbfcpFFoF |
---|---|
Name | 2,2',4,6'-Tetrachloro-1,1'-biphenyl |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 289.922360993 u |
Formula | C12H6Cl4 |
InChI | InChI=1S/C12H6Cl4/c13-7-4-5-8(11(16)6-7)12-9(14)2-1-3-10(12)15/h1-6H |
InChIKey | WVHNUGRFECMVLQ-UHFFFAOYSA-N |
SMILES | C1(=C(C=CC=C1Cl)Cl)C1=CC=C(C=C1Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849036 |