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(2E)-1-[4-[[5-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PENTYL]-OXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
SpectraBase Compound ID 3I5hP5vxDrW
InChI InChI=1S/C34H31Cl3O6/c1-39-31-15-7-23(20-33(31)40-2)6-14-29(38)24-8-12-27(13-9-24)41-18-4-3-5-19-42-34-22-26(36)11-17-32(34)43-30-16-10-25(35)21-28(30)37/h6-17,20-22H,3-5,18-19H2,1-2H3/b14-6+
InChIKey KAJCVUOGJLPZNO-MKMNVTDBSA-N
Mol Weight 642.0 g/mol
Molecular Formula C34H31Cl3O6
Exact Mass 640.118622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vw8ZhRtoIE
Name (2E)-1-[4-[[5-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PENTYL]-OXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H31Cl3O6
InChI InChI=1S/C34H31Cl3O6/c1-39-31-15-7-23(20-33(31)40-2)6-14-29(38)24-8-12-27(13-9-24)41-18-4-3-5-19-42-34-22-26(36)11-17-32(34)43-30-16-10-25(35)21-28(30)37/h6-17,20-22H,3-5,18-19H2,1-2H3/b14-6+
InChIKey KAJCVUOGJLPZNO-MKMNVTDBSA-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 641.976 g/mol
Solvent CDCl3
Source File Reference UWIR15126