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2,2'-bis(Benzoyloxymethyl)-4,4'-difluorobiphenyl

View entire compound with spectra: 1 FTIR

2,2'-bis(Benzoyloxymethyl)-4,4'-difluorobiphenyl
SpectraBase Compound ID 7SCmJ4OdGqr
InChI InChI=1S/C28H20F2O4/c29-23-11-13-25(21(15-23)17-33-27(31)19-7-3-1-4-8-19)26-14-12-24(30)16-22(26)18-34-28(32)20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKey MZVXGHXRLZOWJK-UHFFFAOYSA-N
Mol Weight 458.46 g/mol
Molecular Formula C28H20F2O4
Exact Mass 458.132965 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HqBYqNBMUTJ
Name 2,2'-bis(Benzoyloxymethyl)-4,4'-difluorobiphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.132965446 u
Formula C28H20F2O4
InChI InChI=1S/C28H20F2O4/c29-23-11-13-25(21(15-23)17-33-27(31)19-7-3-1-4-8-19)26-14-12-24(30)16-22(26)18-34-28(32)20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKey MZVXGHXRLZOWJK-UHFFFAOYSA-N
Molecular Weight 458.461 g/mol
SMILES C1=C(C(=CC=C1F)C1=C(C=C(C=C1)F)COC(C1=CC=CC=C1)=O)COC(C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945906