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(2E)-1-[4-[3-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PROPOXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
SpectraBase Compound ID 2Q1ajLjwfFF
InChI InChI=1S/C32H27Cl3O6/c1-37-29-13-5-21(18-31(29)38-2)4-12-27(36)22-6-10-25(11-7-22)39-16-3-17-40-32-20-24(34)9-15-30(32)41-28-14-8-23(33)19-26(28)35/h4-15,18-20H,3,16-17H2,1-2H3/b12-4+
InChIKey IBOFYKFKFIGPEH-UUILKARUSA-N
Mol Weight 613.9 g/mol
Molecular Formula C32H27Cl3O6
Exact Mass 612.087322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TqNqZ18QaZ
Name (2E)-1-[4-[3-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PROPOXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H27Cl3O6
InChI InChI=1S/C32H27Cl3O6/c1-37-29-13-5-21(18-31(29)38-2)4-12-27(36)22-6-10-25(11-7-22)39-16-3-17-40-32-20-24(34)9-15-30(32)41-28-14-8-23(33)19-26(28)35/h4-15,18-20H,3,16-17H2,1-2H3/b12-4+
InChIKey IBOFYKFKFIGPEH-UUILKARUSA-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 613.922 g/mol
Solvent CDCl3
Source File Reference UWIR15124