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7-[4-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-BUTOXY]-4-METHYL-2H-CHROMEN-2-ONE
SpectraBase Compound ID BUZzDtCdpM2
InChI InChI=1S/C26H21Cl3O5/c1-16-12-26(30)34-24-15-19(6-7-20(16)24)31-10-2-3-11-32-25-14-18(28)5-9-23(25)33-22-8-4-17(27)13-21(22)29/h4-9,12-15H,2-3,10-11H2,1H3
InChIKey DXUXCKRFMUJQHB-UHFFFAOYSA-N
Mol Weight 519.81 g/mol
Molecular Formula C26H21Cl3O5
Exact Mass 518.045457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWwNEcdFfVA
Name 7-[4-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-BUTOXY]-4-METHYL-2H-CHROMEN-2-ONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H21Cl3O5
InChI InChI=1S/C26H21Cl3O5/c1-16-12-26(30)34-24-15-19(6-7-20(16)24)31-10-2-3-11-32-25-14-18(28)5-9-23(25)33-22-8-4-17(27)13-21(22)29/h4-9,12-15H,2-3,10-11H2,1H3
InChIKey DXUXCKRFMUJQHB-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 519.809 g/mol
Solvent CDCl3
Source File Reference UWIR15129