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2',4,4'-TRIMETHOXY-3'-(3''-CHLORO-3''-METHYLBUTYL)-CHALCONE
SpectraBase Compound ID CQRShNupG4I
InChI InChI=1S/C23H27ClO4/c1-23(2,24)15-14-19-21(27-4)13-11-18(22(19)28-5)20(25)12-8-16-6-9-17(26-3)10-7-16/h6-13H,14-15H2,1-5H3/b12-8+
InChIKey PMLOMTFIAPDXOK-XYOKQWHBSA-N
Mol Weight 402.92 g/mol
Molecular Formula C23H27ClO4
Exact Mass 402.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4BWBNTqa7i
Name 2',4,4'-TRIMETHOXY-3'-(3''-CHLORO-3''-METHYLBUTYL)-CHALCONE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27ClO4
InChI InChI=1S/C23H27ClO4/c1-23(2,24)15-14-19-21(27-4)13-11-18(22(19)28-5)20(25)12-8-16-6-9-17(26-3)10-7-16/h6-13H,14-15H2,1-5H3/b12-8+
InChIKey PMLOMTFIAPDXOK-XYOKQWHBSA-N
Literature Reference Author J.P.GREALIS,H.MUELLER-BUNZ,Y.ORTIN,M.CASEY,M.J.MCGLINCHEY
Literature Reference Citation EUR.J.ORG.CHEM.,2013,332(2013)
Literature Reference DOI 10.1002/ejoc.201201063
Molecular Weight 402.918 g/mol
Solvent CDCl3
Source File Reference UWBT17360