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DIETHYL-2-[2-(3-NITROPHENYL)-2-OXOETHYL]-ACETAMIDO-MALONATE
SpectraBase Compound ID JDAx3t7XLpI
InChI InChI=1S/C17H20N2O8/c1-4-26-15(22)17(18-11(3)20,16(23)27-5-2)10-14(21)12-7-6-8-13(9-12)19(24)25/h6-9H,4-5,10H2,1-3H3,(H,18,20)
InChIKey XVJIQQOZNTYLID-UHFFFAOYSA-N
Mol Weight 380.35 g/mol
Molecular Formula C17H20N2O8
Exact Mass 380.121966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYcSSmmh9LP
Name DIETHYL-2-[2-(3-NITROPHENYL)-2-OXOETHYL]-ACETAMIDO-MALONATE
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20N2O8
InChI InChI=1S/C17H20N2O8/c1-4-26-15(22)17(18-11(3)20,16(23)27-5-2)10-14(21)12-7-6-8-13(9-12)19(24)25/h6-9H,4-5,10H2,1-3H3,(H,18,20)
InChIKey XVJIQQOZNTYLID-UHFFFAOYSA-N
Literature Reference Author E.CAMACHO,J.LEON,A.CARRION,A.ENTRENA,G.ESCAMES,H.KHALDY,D.AC UNA-CASTROVIEJO,M.A.
Literature Reference Citation J.MED.CHEM.,45,263(2002)
Literature Reference DOI 10.1021/jm010916w
Molecular Weight 380.354 g/mol
Sample ID 64139
Solvent CDCl3