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7-[[8-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-OCTYL]-OXY]-4H-CHROMEN-4-ONE
SpectraBase Compound ID ENTWUtNct6l
InChI InChI=1S/C29H27Cl3O5/c30-20-7-11-26(24(32)17-20)37-27-12-8-21(31)18-29(27)35-15-6-4-2-1-3-5-14-34-22-9-10-23-25(33)13-16-36-28(23)19-22/h7-13,16-19H,1-6,14-15H2
InChIKey JLGUAQFTFQNMOX-UHFFFAOYSA-N
Mol Weight 561.89 g/mol
Molecular Formula C29H27Cl3O5
Exact Mass 560.092407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlVGwwqeSHl
Name 7-[[8-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-OCTYL]-OXY]-4H-CHROMEN-4-ONE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27Cl3O5
InChI InChI=1S/C29H27Cl3O5/c30-20-7-11-26(24(32)17-20)37-27-12-8-21(31)18-29(27)35-15-6-4-2-1-3-5-14-34-22-9-10-23-25(33)13-16-36-28(23)19-22/h7-13,16-19H,1-6,14-15H2
InChIKey JLGUAQFTFQNMOX-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 561.889 g/mol
Solvent CDCl3
Source File Reference UWIR15135