SpectraBase Compound ID | JB41eIEWE4p |
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InChI | InChI=1S/C7H4Cl3F/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,7H |
InChIKey | LNAKJPIBACZWIG-UHFFFAOYSA-N |
Mol Weight | 213.47 g/mol |
Molecular Formula | C7H4Cl3F |
Exact Mass | 211.936261 g/mol |
SpectraBase Spectrum ID | 8UHxPCdC2Lj |
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Name | 2-Chloro-1-(dichloromethyl)-4-fluorobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 211.936261392 u |
Formula | C7H4Cl3F |
InChI | InChI=1S/C7H4Cl3F/c8-6-3-4(11)1-2-5(6)7(9)10/h1-3,7H |
InChIKey | LNAKJPIBACZWIG-UHFFFAOYSA-N |
Molecular Weight | 213.466 g/mol |
SMILES | C1=C(C(=CC=C1F)C(Cl)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922649 |