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METHYL_3-(3'-NITRO-4'-FLUOROPHENYL)-2-Z-PROPENOATE;MIXTURE_OF_ISOMERS
SpectraBase Compound ID 8x8T7zNzFyc
InChI InChI=1S/2C10H8FNO4/c2*1-16-10(13)5-3-7-2-4-8(11)9(6-7)12(14)15/h2*2-6H,1H3/b2*5-3-
InChIKey KWBXUWIMXRVACU-VOZCARDYSA-N
Mol Weight 450.35 g/mol
Molecular Formula C20H16F2N2O8
Exact Mass 450.087472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LRLJtnqrK5
Name METHYL_3-(3'-NITRO-4'-FLUOROPHENYL)-2-Z-PROPENOATE;MIXTURE_OF_ISOMERS
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16F2N2O8
InChI InChI=1S/2C10H8FNO4/c2*1-16-10(13)5-3-7-2-4-8(11)9(6-7)12(14)15/h2*2-6H,1H3/b2*5-3-
InChIKey KWBXUWIMXRVACU-VOZCARDYSA-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 450.352 g/mol
Sample ID 32557
Solvent CDCl3