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2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldiol

View entire compound with spectra: 1 FTIR

2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldiol
SpectraBase Compound ID KKX4u1mZ0jR
InChI InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H
InChIKey MOFZHBRFFAIMKM-UHFFFAOYSA-N
Mol Weight 330.13 g/mol
Molecular Formula C12H2F8O2
Exact Mass 329.992705 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8oAZrcdshY4
Name 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldiol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.992704606 u
Formula C12H2F8O2
InChI InChI=1S/C12H2F8O2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H
InChIKey MOFZHBRFFAIMKM-UHFFFAOYSA-N
Molecular Weight 330.133 g/mol
SMILES C1(=C(C(=C(C(=C1F)O)F)F)C1=C(C(=C(C(=C1F)F)O)F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929603