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2,2',3,3'4',5,5',6,6'-Nonafluoro-4-biphenylamine

View entire compound with spectra: 1 FTIR

2,2',3,3'4',5,5',6,6'-Nonafluoro-4-biphenylamine
SpectraBase Compound ID 3caVXOToOcO
InChI InChI=1S/C12H2F9N/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H2
InChIKey DVKUPHGYOMHVDR-UHFFFAOYSA-N
Mol Weight 331.14 g/mol
Molecular Formula C12H2F9N
Exact Mass 331.004353 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DuqqTg9vOMr
Name 2,2',3,3'4',5,5',6,6'-Nonafluoro-4-biphenylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.004352535 u
Formula C12H2F9N
InChI InChI=1S/C12H2F9N/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H2
InChIKey DVKUPHGYOMHVDR-UHFFFAOYSA-N
Molecular Weight 331.141 g/mol
SMILES C1(=C(C(F)=C(C(=C1F)C1=C(C(F)=C(C(=C1F)F)N)F)F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827785