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3-[(3-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

View entire compound with spectra: 2 NMR

3-[(3-fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
SpectraBase Compound ID 3cCADw2LFmK
InChI InChI=1S/C25H15FO6/c26-14-7-5-6-13(12-14)19(20-22(27)15-8-1-3-10-17(15)31-24(20)29)21-23(28)16-9-2-4-11-18(16)32-25(21)30/h1-12,19,27-28H
InChIKey KNWCXLIAEWMGIS-UHFFFAOYSA-N
Mol Weight 430.39 g/mol
Molecular Formula C25H15FO6
Exact Mass 430.085266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jrnDs6JevN
Name 3-[(3-Fluorophenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.085266360 u
Formula C25H15FO6
InChI InChI=1S/C25H15FO6/c26-14-7-5-6-13(12-14)19(20-22(27)15-8-1-3-10-17(15)31-24(20)29)21-23(28)16-9-2-4-11-18(16)32-25(21)30/h1-12,19,27-28H
InChIKey KNWCXLIAEWMGIS-UHFFFAOYSA-N
Molecular Weight 430.387 g/mol
SMILES OC1=C(C(C2=C(C=3C=CC=CC3OC2=O)O)C2=CC(F)=CC=C2)C(OC2=CC=CC=C12)=O