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DIMETHYL-2-CYANO-4-[[(4-METHOXYCARBONYLPHENYL)-METHYLAMINO]-METHYL]-PENTANEDIOATE

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DIMETHYL-2-CYANO-4-[[(4-METHOXYCARBONYLPHENYL)-METHYLAMINO]-METHYL]-PENTANEDIOATE
SpectraBase Compound ID 1TbqRqG4SVd
InChI InChI=1S/2C18H22N2O6/c2*1-20(15-7-5-12(6-8-15)16(21)24-2)11-14(18(23)26-4)9-13(10-19)17(22)25-3/h2*5-8,13-14H,9,11H2,1-4H3
InChIKey FJJMBQDEMFQROQ-UHFFFAOYSA-N
Mol Weight 724.76 g/mol
Molecular Formula C36H44N4O12
Exact Mass 724.295573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAfb7lb9DsL
Name DIMETHYL-2-CYANO-4-[[(4-METHOXYCARBONYLPHENYL)-METHYLAMINO]-METHYL]-PENTANEDIOATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44N4O12
InChI InChI=1S/2C18H22N2O6/c2*1-20(15-7-5-12(6-8-15)16(21)24-2)11-14(18(23)26-4)9-13(10-19)17(22)25-3/h2*5-8,13-14H,9,11H2,1-4H3
InChIKey FJJMBQDEMFQROQ-UHFFFAOYSA-N
Literature Reference Author J.I.BORRELL,J.TEIXIDO,J.L.MATALLANA,B.MARTINEZ-TEIPEL,C.COLO MINAS,M.COSTA,M.BALC
Literature Reference Citation J.MED.CHEM.,44,2366(2001)
Literature Reference DOI 10.1021/jm990411u
Molecular Weight 724.765 g/mol
Sample ID 44610
Solvent CDCl3