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(2E)-1-[4-[4-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-BUTOXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
SpectraBase Compound ID 8VYorx4SifW
InChI InChI=1S/C33H29Cl3O6/c1-38-30-14-6-22(19-32(30)39-2)5-13-28(37)23-7-11-26(12-8-23)40-17-3-4-18-41-33-21-25(35)10-16-31(33)42-29-15-9-24(34)20-27(29)36/h5-16,19-21H,3-4,17-18H2,1-2H3/b13-5+
InChIKey SBMSGHPSBSCDOX-WLRTZDKTSA-N
Mol Weight 627.9 g/mol
Molecular Formula C33H29Cl3O6
Exact Mass 626.102972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KtrBVB9hDB
Name (2E)-1-[4-[4-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-BUTOXY]-PHENYL]-3-(3,4-DIMETHOXYPHENYL)-PROP-2-EN-1-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H29Cl3O6
InChI InChI=1S/C33H29Cl3O6/c1-38-30-14-6-22(19-32(30)39-2)5-13-28(37)23-7-11-26(12-8-23)40-17-3-4-18-41-33-21-25(35)10-16-31(33)42-29-15-9-24(34)20-27(29)36/h5-16,19-21H,3-4,17-18H2,1-2H3/b13-5+
InChIKey SBMSGHPSBSCDOX-WLRTZDKTSA-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 627.949 g/mol
Solvent CDCl3
Source File Reference UWIR15125