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7-[[5-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PENTYL]-OXY]-4H-CHROMEN-4-ONE
SpectraBase Compound ID 93ZSXqhKvnb
InChI InChI=1S/C26H21Cl3O5/c27-17-4-8-23(21(29)14-17)34-24-9-5-18(28)15-26(24)32-12-3-1-2-11-31-19-6-7-20-22(30)10-13-33-25(20)16-19/h4-10,13-16H,1-3,11-12H2
InChIKey LJALAUSHOUCVTO-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 9E6c9RMLIro
Name 7-[[5-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PENTYL]-OXY]-4H-CHROMEN-4-ONE
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H21Cl3O5
InChI InChI=1S/C26H21Cl3O5/c27-17-4-8-23(21(29)14-17)34-24-9-5-18(28)15-26(24)32-12-3-1-2-11-31-19-6-7-20-22(30)10-13-33-25(20)16-19/h4-10,13-16H,1-3,11-12H2
InChIKey LJALAUSHOUCVTO-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 UWIR15134