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3',4',5',5-Tetrafluorobiphenyl-2-amine

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3',4',5',5-Tetrafluorobiphenyl-2-amine
SpectraBase Compound ID 5tNfqZ575Jn
InChI InChI=1S/C12H7F4N/c13-7-1-2-11(17)8(5-7)6-3-9(14)12(16)10(15)4-6/h1-5H,17H2
InChIKey KFDSWFROHOHKLI-UHFFFAOYSA-N
Mol Weight 241.19 g/mol
Molecular Formula C12H7F4N
Exact Mass 241.051462 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CPwsp8HMgJi
Name 3',4',5',5-Tetrafluorobiphenyl-2-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.051461881 u
Formula C12H7F4N
InChI InChI=1S/C12H7F4N/c13-7-1-2-11(17)8(5-7)6-3-9(14)12(16)10(15)4-6/h1-5H,17H2
InChIKey KFDSWFROHOHKLI-UHFFFAOYSA-N
Molecular Weight 241.189 g/mol
SMILES C=1(C(=CC=C(C1)F)N)C1=CC(=C(C(=C1)F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850691