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METHYL-(E)-4-[BENZYL-(5-FORMYL-2,6-DIMETHOXYPYRIMIDIN-4-YL)-AMINO]-BUT-2-ENOATE
SpectraBase Compound ID 6adLATnUXex
InChI InChI=1S/C21H25N3O5/c1-5-16(11-12-18(26)27-2)24(13-15-9-7-6-8-10-15)19-17(14-25)20(28-3)23-21(22-19)29-4/h6-12,14,16H,5,13H2,1-4H3/b12-11+
InChIKey XHASERYERGGYIU-VAWYXSNFSA-N
Mol Weight 399.45 g/mol
Molecular Formula C21H25N3O5
Exact Mass 399.179421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4VeOpZrgNpK
Name METHYL-(E)-4-[BENZYL-(5-FORMYL-2,6-DIMETHOXYPYRIMIDIN-4-YL)-AMINO]-BUT-2-ENOATE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25N3O5
InChI InChI=1S/C21H25N3O5/c1-5-16(11-12-18(26)27-2)24(13-15-9-7-6-8-10-15)19-17(14-25)20(28-3)23-21(22-19)29-4/h6-12,14,16H,5,13H2,1-4H3/b12-11+
InChIKey XHASERYERGGYIU-VAWYXSNFSA-N
Literature Reference Author F.HEANEY,S.BOURKE,C.BURKE,D.CUNNINGHAM,P.MCARDLE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2255(1998)
Literature Reference DOI 10.1039/a802750a
Molecular Weight 399.447 g/mol
Solvent CDCl3