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#6B;METHYL-(6R*,1'R*)-3-BENZYL-5-ETHYLOXYCARBONYL-6-[2'-NITRO-1'-(1''-TRITYL-1''H-IMIDAZOL-4''-YL)-ETHYL]-4,5,6,7-TETRAHYDRO-3H-IMIDAZO-[4,5-C]-PYRIDIN-6-CARBOXYL

View entire compound with spectra: 1 NMR

#6B;METHYL-(6R*,1'R*)-3-BENZYL-5-ETHYLOXYCARBONYL-6-[2'-NITRO-1'-(1''-TRITYL-1''H-IMIDAZOL-4''-YL)-ETHYL]-4,5,6,7-TETRAHYDRO-3H-IMIDAZO-[4,5-C]-PYRIDIN-6-CARBOXYL
SpectraBase Compound ID KrLUJwl8Ut9
InChI InChI=1S/C42H40N6O6/c1-3-54-40(50)47-28-38-36(43-29-45(38)25-31-16-8-4-9-17-31)24-41(47,39(49)53-2)35(26-48(51)52)37-27-46(30-44-37)42(32-18-10-5-11-19-32,33-20-12-6-13-21-33)34-22-14-7-15-23-34/h4-23,27,29-30,35H,3,24-26,28H2,1-2H3/t35-,41-/m1/s1
InChIKey GDDYOMDZKSDSQB-QIRLOONUSA-N
Mol Weight 724.8 g/mol
Molecular Formula C42H40N6O6
Exact Mass 724.300933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXkus7UO31E
Name #6B;METHYL-(6R*,1'R*)-3-BENZYL-5-ETHYLOXYCARBONYL-6-[2'-NITRO-1'-(1''-TRITYL-1''H-IMIDAZOL-4''-YL)-ETHYL]-4,5,6,7-TETRAHYDRO-3H-IMIDAZO-[4,5-C]-PYRIDIN-6-CARBOXYL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H40N6O6
InChI InChI=1S/C42H40N6O6/c1-3-54-40(50)47-28-38-36(43-29-45(38)25-31-16-8-4-9-17-31)24-41(47,39(49)53-2)35(26-48(51)52)37-27-46(30-44-37)42(32-18-10-5-11-19-32,33-20-12-6-13-21-33)34-22-14-7-15-23-34/h4-23,27,29-30,35H,3,24-26,28H2,1-2H3/t35-,41-/m1/s1
InChIKey GDDYOMDZKSDSQB-QIRLOONUSA-N
Literature Reference Author M.F.BRANA,C.GUISADO,F.SANZ
Literature Reference Citation J.HETCYCL.CHEM.,40,917(2003)
Literature Reference DOI 10.1002/jhet.5570400528
Molecular Weight 724.816 g/mol
Solvent CDCl3
Source File Reference UWMS22865