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DIMETHYL-2-CYANO-4-[2-(4-METHOXYCARBONYLPHENYL)-ETHYL]-PENTANEDIOATE

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DIMETHYL-2-CYANO-4-[2-(4-METHOXYCARBONYLPHENYL)-ETHYL]-PENTANEDIOATE
SpectraBase Compound ID AaM8epZdZOS
InChI InChI=1S/2C18H21NO6/c2*1-23-16(20)13-7-4-12(5-8-13)6-9-14(17(21)24-2)10-15(11-19)18(22)25-3/h2*4-5,7-8,14-15H,6,9-10H2,1-3H3
InChIKey KOWXYAJRPROOSU-UHFFFAOYSA-N
Mol Weight 694.73 g/mol
Molecular Formula C36H42N2O12
Exact Mass 694.273775 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iK99jvymI7
Name DIMETHYL-2-CYANO-4-[2-(4-METHOXYCARBONYLPHENYL)-ETHYL]-PENTANEDIOATE
Compound Number 13C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42N2O12
InChI InChI=1S/2C18H21NO6/c2*1-23-16(20)13-7-4-12(5-8-13)6-9-14(17(21)24-2)10-15(11-19)18(22)25-3/h2*4-5,7-8,14-15H,6,9-10H2,1-3H3
InChIKey KOWXYAJRPROOSU-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 694.736 g/mol
Sample ID 44612
Solvent CDCl3