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(E)-ALPHA-CYANO-BETA-(2-METHYL-3-ETHOXYCARBONYL-4-HYDROXYPYRROLYL-5)ACRYLIC ACID, AMIDE
SpectraBase Compound ID J4PZY3mpHGj
InChI InChI=1S/C12H13N3O4/c1-3-19-12(18)9-6(2)15-8(10(9)16)4-7(5-13)11(14)17/h4,15-16H,3H2,1-2H3,(H2,14,17)/b7-4+
InChIKey LGIWJGSFAGNIOV-QPJJXVBHSA-N
Mol Weight 263.25 g/mol
Molecular Formula C12H13N3O4
Exact Mass 263.090606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kAiZfinPta
Name (E)-ALPHA-CYANO-BETA-(2-METHYL-3-ETHOXYCARBONYL-4-HYDROXYPYRROLYL-5)ACRYLIC ACID, AMIDE
Comments ##
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Formula C12H13N3O4
InChI InChI=1S/C12H13N3O4/c1-3-19-12(18)9-6(2)15-8(10(9)16)4-7(5-13)11(14)17/h4,15-16H,3H2,1-2H3,(H2,14,17)/b7-4+
InChIKey LGIWJGSFAGNIOV-QPJJXVBHSA-N
Instrument Name Varian XL-200
Literature Reference S.YU.RYABOVA, YU.I.TROFIMKIN, L.M.ALEKSEEVA, L.S.KHABAROVA, V.G.GRANIK (1991)Khim.Heteroc.Soed.(Russ. Lang.): N3, 343-348.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo