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3'-(3'''-NITRO-4'''-FLUOROPHENYL)-2'-Z-PROPENYL_3-(3''-HYDROXY-4''-BENZYLOXYPHENYL)-PROPANOATE;ISOMER_2
SpectraBase Compound ID 1T6Gk69aQV7
InChI InChI=1S/C25H22FNO6/c26-21-11-8-18(15-22(21)27(30)31)7-4-14-32-25(29)13-10-19-9-12-24(23(28)16-19)33-17-20-5-2-1-3-6-20/h1-9,11-12,15-16,28H,10,13-14,17H2/b7-4-
InChIKey BGPXMJZZZOUXDK-DAXSKMNVSA-N
Mol Weight 451.45 g/mol
Molecular Formula C25H22FNO6
Exact Mass 451.143116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3d45Rf03DTr
Name 3'-(3'''-NITRO-4'''-FLUOROPHENYL)-2'-Z-PROPENYL_3-(3''-HYDROXY-4''-BENZOYLPHENYL)-PROPANOATE;ISOMER_1
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22FNO6
InChI InChI=1S/C25H22FNO6/c26-21-11-8-18(15-22(21)27(30)31)7-4-14-32-25(29)13-10-19-9-12-24(23(28)16-19)33-17-20-5-2-1-3-6-20/h1-9,11-12,15-16,28H,10,13-14,17H2/b7-4-
InChIKey BGPXMJZZZOUXDK-DAXSKMNVSA-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 451.451 g/mol
Sample ID 32558
Solvent CDCl3