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3'-(4'''-BROMOPHENYL)-PROPANYL_3-(3''-HYDROXY-4''-BENZOYLOXYPHENYL)-PROPANOATE
SpectraBase Compound ID ttxJyW3uOw
InChI InChI=1S/C25H25BrO4/c26-22-12-8-19(9-13-22)7-4-16-29-25(28)15-11-20-10-14-24(23(27)17-20)30-18-21-5-2-1-3-6-21/h1-3,5-6,8-10,12-14,17,27H,4,7,11,15-16,18H2
InChIKey DUBIGTLFANRVLN-UHFFFAOYSA-N
Mol Weight 469.38 g/mol
Molecular Formula C25H25BrO4
Exact Mass 468.093622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNbwfnyIFR2
Name 3'-(4'''-BROMOPHENYL)-PROPANYL_3-(3''-HYDROXY-4''-BENZOYLOXYPHENYL)-PROPANOATE
Compound Number 39
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H25BrO4
InChI InChI=1S/C25H25BrO4/c26-22-12-8-19(9-13-22)7-4-16-29-25(28)15-11-20-10-14-24(23(27)17-20)30-18-21-5-2-1-3-6-21/h1-3,5-6,8-10,12-14,17,27H,4,7,11,15-16,18H2
InChIKey DUBIGTLFANRVLN-UHFFFAOYSA-N
Literature Reference Author G.R.PETTIT,P.D.QUISTORF,J.A.FRY,D.L.HERALD,E.HAMEL,J.C.CHAPU IS
Literature Reference Citation J.NAT.PROD.,72,876(2009)
Literature Reference DOI 10.1021/np800635h
Molecular Weight 469.375 g/mol
Sample ID 32563
Solvent CDCl3