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2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-ylamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-ylamine
SpectraBase Compound ID 1zrnr9ZQyIu
InChI InChI=1S/C12H6F5N/c13-8-7(5-1-3-6(18)4-2-5)9(14)11(16)12(17)10(8)15/h1-4H,18H2
InChIKey IQLIIURHJFOWCJ-UHFFFAOYSA-N
Mol Weight 259.18 g/mol
Molecular Formula C12H6F5N
Exact Mass 259.04204 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KZPWnZ5XDsd
Name 2',3',4',5',6'-Pentafluoro[1,1'-biphenyl]-4-ylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.042040012 u
Formula C12H6F5N
InChI InChI=1S/C12H6F5N/c13-8-7(5-1-3-6(18)4-2-5)9(14)11(16)12(17)10(8)15/h1-4H,18H2
InChIKey IQLIIURHJFOWCJ-UHFFFAOYSA-N
Molecular Weight 259.179 g/mol
SMILES C=1(C(=C(F)C(=C(C1F)F)F)F)C1=CC=C(C=C1)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914503