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7-[[5-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PENTYL]-OXY]-4-METHYL-2H-CHROMEN-2-ONE
SpectraBase Compound ID A9YA7NM74F5
InChI InChI=1S/C27H23Cl3O5/c1-17-13-27(31)35-25-16-20(7-8-21(17)25)32-11-3-2-4-12-33-26-15-19(29)6-10-24(26)34-23-9-5-18(28)14-22(23)30/h5-10,13-16H,2-4,11-12H2,1H3
InChIKey QFRGSLKUAFBANY-UHFFFAOYSA-N
Mol Weight 533.84 g/mol
Molecular Formula C27H23Cl3O5
Exact Mass 532.061107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeuL4b5ZZPg
Name 7-[[5-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PENTYL]-OXY]-4-METHYL-2H-CHROMEN-2-ONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H23Cl3O5
InChI InChI=1S/C27H23Cl3O5/c1-17-13-27(31)35-25-16-20(7-8-21(17)25)32-11-3-2-4-12-33-26-15-19(29)6-10-24(26)34-23-9-5-18(28)14-22(23)30/h5-10,13-16H,2-4,11-12H2,1H3
InChIKey QFRGSLKUAFBANY-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 533.836 g/mol
Solvent CDCl3
Source File Reference UWIR15130