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7-[3-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PROPOXY]-4-METHYL-2H-CHROMEN-2-ONE
SpectraBase Compound ID 2uU5sTSyLV1
InChI InChI=1S/C25H19Cl3O5/c1-15-11-25(29)33-23-14-18(5-6-19(15)23)30-9-2-10-31-24-13-17(27)4-8-22(24)32-21-7-3-16(26)12-20(21)28/h3-8,11-14H,2,9-10H2,1H3
InChIKey IFABHYSFGQEAKO-UHFFFAOYSA-N
Mol Weight 505.78 g/mol
Molecular Formula C25H19Cl3O5
Exact Mass 504.029807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJA3uUgKxcm
Name 7-[3-[5-CHLORO-2-(2,4-DICHLOROPHENOXY)-PHENOXY]-PROPOXY]-4-METHYL-2H-CHROMEN-2-ONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H19Cl3O5
InChI InChI=1S/C25H19Cl3O5/c1-15-11-25(29)33-23-14-18(5-6-19(15)23)30-9-2-10-31-24-13-17(27)4-8-22(24)32-21-7-3-16(26)12-20(21)28/h3-8,11-14H,2,9-10H2,1H3
InChIKey IFABHYSFGQEAKO-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 505.782 g/mol
Solvent CDCl3
Source File Reference UWIR15128