SpectraBase Compound ID | 7qBKJuj89l7 |
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InChI | InChI=1S/C7H4Cl2F2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H |
InChIKey | CYZYZJBQFLOMLF-UHFFFAOYSA-N |
Mol Weight | 197.01 g/mol |
Molecular Formula | C7H4Cl2F2 |
Exact Mass | 195.965812 g/mol |
SpectraBase Spectrum ID | 4FIeXGEETkZ |
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Name | 2,4-Dichloro-1-(difluoromethyl)benzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 195.965811855 u |
Formula | C7H4Cl2F2 |
InChI | InChI=1S/C7H4Cl2F2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H |
InChIKey | CYZYZJBQFLOMLF-UHFFFAOYSA-N |
Molecular Weight | 197.012 g/mol |
SMILES | C1(=C(C(F)F)C=CC(=C1)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815841 |