SpectraBase Compound ID | Bj26HNILrTe |
---|---|
InChI | InChI=1S/C6HCl4F/c7-2-1-3(11)5(9)6(10)4(2)8/h1H |
InChIKey | ANICFDYFPBTMNX-UHFFFAOYSA-N |
Mol Weight | 233.9 g/mol |
Molecular Formula | C6HCl4F |
Exact Mass | 231.881639 g/mol |
SpectraBase Spectrum ID | 5HSgFewLgWb |
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Name | 3,4,5,6-Tetrachloro-2-fluorobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 231.881638995 u |
Formula | C6HCl4F |
InChI | InChI=1S/C6HCl4F/c7-2-1-3(11)5(9)6(10)4(2)8/h1H |
InChIKey | ANICFDYFPBTMNX-UHFFFAOYSA-N |
Molecular Weight | 233.884 g/mol |
SMILES | C1(F)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936093 |