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7-[4-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-BUTOXY]-4H-CHROMEN-4-ONE
SpectraBase Compound ID 3KAH9CV7dU
InChI InChI=1S/C25H19Cl3O5/c26-16-3-7-22(20(28)13-16)33-23-8-4-17(27)14-25(23)31-11-2-1-10-30-18-5-6-19-21(29)9-12-32-24(19)15-18/h3-9,12-15H,1-2,10-11H2
InChIKey KWYWTYRJTWXQKS-UHFFFAOYSA-N
Mol Weight 505.78 g/mol
Molecular Formula C25H19Cl3O5
Exact Mass 504.029807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G58FaZ6dzwO
Name 7-[4-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-BUTOXY]-4H-CHROMEN-4-ONE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H19Cl3O5
InChI InChI=1S/C25H19Cl3O5/c26-16-3-7-22(20(28)13-16)33-23-8-4-17(27)14-25(23)31-11-2-1-10-30-18-5-6-19-21(29)9-12-32-24(19)15-18/h3-9,12-15H,1-2,10-11H2
InChIKey KWYWTYRJTWXQKS-UHFFFAOYSA-N
Literature Reference Author E.OTERO,S.VERGARA,S.M.ROBLEDO,W.CARDONA,M.CARDA,I.D.VELEZ,C. ROJAS,F.OTALVARO
Literature Reference Citation MOLECULES,19,13251(2014)
Literature Reference DOI 10.3390/molecules190913251
Molecular Weight 505.782 g/mol
Solvent CDCl3
Source File Reference UWIR15133