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(2E)-1-[4-[[8-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-OCTYL]-OXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
SpectraBase Compound ID AagOdDGIHkr
InChI InChI=1S/C37H37Cl3O6/c1-42-34-18-10-26(23-36(34)43-2)9-17-32(41)27-11-15-30(16-12-27)44-21-7-5-3-4-6-8-22-45-37-25-29(39)14-20-35(37)46-33-19-13-28(38)24-31(33)40/h9-20,23-25H,3-8,21-22H2,1-2H3/b17-9+
InChIKey DFNQWGZAXPOJIM-RQZCQDPDSA-N
Mol Weight 684.1 g/mol
Molecular Formula C37H37Cl3O6
Exact Mass 682.165572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JG0t07VWvN
Name (2E)-1-[4-[[8-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-OCTYL]-OXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H37Cl3O6
InChI InChI=1S/C37H37Cl3O6/c1-42-34-18-10-26(23-36(34)43-2)9-17-32(41)27-11-15-30(16-12-27)44-21-7-5-3-4-6-8-22-45-37-25-29(39)14-20-35(37)46-33-19-13-28(38)24-31(33)40/h9-20,23-25H,3-8,21-22H2,1-2H3/b17-9+
InChIKey DFNQWGZAXPOJIM-RQZCQDPDSA-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 684.056 g/mol
Solvent CDCl3
Source File Reference UWIR15127