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2,2'-Dihydroxybiphenyl, trifluoroacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

2,2'-Dihydroxybiphenyl, trifluoroacetate
SpectraBase Compound ID JEA4IUwJQls
InChI InChI=1S/C16H8F6O4/c17-15(18,19)13(23)25-11-7-3-1-5-9(11)10-6-2-4-8-12(10)26-14(24)16(20,21)22/h1-8H
InChIKey FNSAFZWTQQMYIK-UHFFFAOYSA-N
Mol Weight 378.23 g/mol
Molecular Formula C16H8F6O4
Exact Mass 378.032678 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID An1D7DNqUmW
Name 2,2'-Dihydroxybiphenyl, trifluoroacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.032677712 u
Formula C16H8F6O4
InChI InChI=1S/C16H8F6O4/c17-15(18,19)13(23)25-11-7-3-1-5-9(11)10-6-2-4-8-12(10)26-14(24)16(20,21)22/h1-8H
InChIKey FNSAFZWTQQMYIK-UHFFFAOYSA-N
Molecular Weight 378.226 g/mol
SMILES C1(=C(C=CC=C1)OC(C(F)(F)F)=O)C1=C(C=CC=C1)OC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872069