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DIMETHYL-4-CYANO-4-METHOXYCARBONYL-2,6-BIS-[[N-(4-METHOXYCARBONYLPHENYL)-N-METHYLAMINO]-METHYL]-HEPTANODIOATE

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DIMETHYL-4-CYANO-4-METHOXYCARBONYL-2,6-BIS-[[N-(4-METHOXYCARBONYLPHENYL)-N-METHYLAMINO]-METHYL]-HEPTANODIOATE
SpectraBase Compound ID 5GM2Gct6Dex
InChI InChI=1S/2C32H39N3O10/c2*1-34(25-12-8-21(9-13-25)27(36)41-3)18-23(29(38)43-5)16-32(20-33,31(40)45-7)17-24(30(39)44-6)19-35(2)26-14-10-22(11-15-26)28(37)42-4/h2*8-15,23-24H,16-19H2,1-7H3
InChIKey LJEBBNUCYQKEJF-UHFFFAOYSA-N
Mol Weight 1251.4 g/mol
Molecular Formula C64H78N6O20
Exact Mass 1250.527089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jq0gNK35aT9
Name DIMETHYL-4-CYANO-4-METHOXYCARBONYL-2,6-BIS-[[N-(4-METHOXYCARBONYLPHENYL)-N-METHYLAMINO]-METHYL]-HEPTANODIOATE
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H78N6O20
InChI InChI=1S/2C32H39N3O10/c2*1-34(25-12-8-21(9-13-25)27(36)41-3)18-23(29(38)43-5)16-32(20-33,31(40)45-7)17-24(30(39)44-6)19-35(2)26-14-10-22(11-15-26)28(37)42-4/h2*8-15,23-24H,16-19H2,1-7H3
InChIKey LJEBBNUCYQKEJF-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 1251.352 g/mol
Sample ID 44628
Solvent CDCl3