SpectraBase Compound ID | 1hohqxZF8c |
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InChI | InChI=1S/C6H2BrClFI/c7-3-1-2-4(10)6(9)5(3)8/h1-2H |
InChIKey | KORMQSNUPWNOLD-UHFFFAOYSA-N |
Mol Weight | 335.34 g/mol |
Molecular Formula | C6H2BrClFI |
Exact Mass | 333.805714 g/mol |
SpectraBase Spectrum ID | 1uZaz05T1Pm |
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Name | 1-Bromo-2-chloro-3-fluoro-4-iodobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 333.805713927 u |
Formula | C6H2BrClFI |
InChI | InChI=1S/C6H2BrClFI/c7-3-1-2-4(10)6(9)5(3)8/h1-2H |
InChIKey | KORMQSNUPWNOLD-UHFFFAOYSA-N |
Molecular Weight | 335.342 g/mol |
SMILES | C1(=C(C(=C(C=C1)I)F)Cl)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.881226 |