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DIMETHYL-4-CYANO-4-METHOXYCARBONYL-2,6-BIS-[2-(4-METHOXYCARBONYLPHENYL)-ETHYL]-HEPTANODIOATE

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DIMETHYL-4-CYANO-4-METHOXYCARBONYL-2,6-BIS-[2-(4-METHOXYCARBONYLPHENYL)-ETHYL]-HEPTANODIOATE
SpectraBase Compound ID FspE2udSHRP
InChI InChI=1S/2C32H37NO10/c2*1-39-27(34)23-12-6-21(7-13-23)10-16-25(29(36)41-3)18-32(20-33,31(38)43-5)19-26(30(37)42-4)17-11-22-8-14-24(15-9-22)28(35)40-2/h2*6-9,12-15,25-26H,10-11,16-19H2,1-5H3
InChIKey QJKLVFJPTXVYOK-UHFFFAOYSA-N
Mol Weight 1191.3 g/mol
Molecular Formula C64H74N2O20
Exact Mass 1190.483493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GyDqmlfOKEl
Name DIMETHYL-4-CYANO-4-METHOXYCARBONYL-2,6-BIS-[2-(4-METHOXYCARBONYLPHENYL)-ETHYL]-HEPTANODIOATE
Compound Number 19C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H74N2O20
InChI InChI=1S/2C32H37NO10/c2*1-39-27(34)23-12-6-21(7-13-23)10-16-25(29(36)41-3)18-32(20-33,31(38)43-5)19-26(30(37)42-4)17-11-22-8-14-24(15-9-22)28(35)40-2/h2*6-9,12-15,25-26H,10-11,16-19H2,1-5H3
InChIKey QJKLVFJPTXVYOK-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 1191.293 g/mol
Sample ID 44630
Solvent CDCl3