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5,7-bis[(2-chloro-6-fluorobenzyl)oxy]-4-phenyl-2H-chromen-2-one

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5,7-bis[(2-chloro-6-fluorobenzyl)oxy]-4-phenyl-2H-chromen-2-one
SpectraBase Compound ID 9yWFJ35cIAx
InChI InChI=1S/C29H18Cl2F2O4/c30-22-8-4-10-24(32)20(22)15-35-18-12-26(36-16-21-23(31)9-5-11-25(21)33)29-19(17-6-2-1-3-7-17)14-28(34)37-27(29)13-18/h1-14H,15-16H2
InChIKey ZDINMTBGRVQNKT-UHFFFAOYSA-N
Mol Weight 539.36 g/mol
Molecular Formula C29H18Cl2F2O4
Exact Mass 538.055021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yS5fbbOMQ
Name 5,7-bis[(2-Chloro-6-fluorobenzyl)oxy]-4-phenyl-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.055020782 u
Formula C29H18Cl2F2O4
InChI InChI=1S/C29H18Cl2F2O4/c30-22-8-4-10-24(32)20(22)15-35-18-12-26(36-16-21-23(31)9-5-11-25(21)33)29-19(17-6-2-1-3-7-17)14-28(34)37-27(29)13-18/h1-14H,15-16H2
InChIKey ZDINMTBGRVQNKT-UHFFFAOYSA-N
Molecular Weight 539.362 g/mol
SMILES C=1(C=2C(=CC(=CC2OCC2=C(F)C=CC=C2Cl)OCC2=C(F)C=CC=C2Cl)OC(C1)=O)C1=CC=CC=C1