SpectraBase Compound ID | DE0U0ekdBsP |
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InChI | InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(9)6(4)8/h1-3H |
InChIKey | NPXCSDPOOVOVDQ-UHFFFAOYSA-N |
Mol Weight | 164.99 g/mol |
Molecular Formula | C6H3Cl2F |
Exact Mass | 163.959584 g/mol |
SpectraBase Spectrum ID | EjrLCdTGQYZ |
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Name | 2,3-Dichloro-fluorobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 163.959583660 u |
Formula | C6H3Cl2F |
InChI | InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(9)6(4)8/h1-3H |
InChIKey | NPXCSDPOOVOVDQ-UHFFFAOYSA-N |
Molecular Weight | 164.994 g/mol |
SMILES | C1(F)=C(Cl)C(Cl)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926777 |