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Methyl(3,2',6'-trichloro-5-fluorobiphenyl-4-yl)amine

View entire compound with spectra: 1 FTIR

Methyl(3,2',6'-trichloro-5-fluorobiphenyl-4-yl)amine
SpectraBase Compound ID 6xcTTYvnH7
InChI InChI=1S/C13H9Cl3FN/c1-18-13-10(16)5-7(6-11(13)17)12-8(14)3-2-4-9(12)15/h2-6,18H,1H3
InChIKey WXHVGYTYEWEJEI-UHFFFAOYSA-N
Mol Weight 304.58 g/mol
Molecular Formula C13H9Cl3FN
Exact Mass 302.978461 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5hvXFvQjlmM
Name Methyl(3,2',6'-trichloro-5-fluorobiphenyl-4-yl)amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.978460557 u
Formula C13H9Cl3FN
InChI InChI=1S/C13H9Cl3FN/c1-18-13-10(16)5-7(6-11(13)17)12-8(14)3-2-4-9(12)15/h2-6,18H,1H3
InChIKey WXHVGYTYEWEJEI-UHFFFAOYSA-N
Molecular Weight 304.579 g/mol
SMILES C1(=CC=CC(=C1C1=CC(=C(C(=C1)F)NC)Cl)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93318