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CIS-DIMERHYL-2,4-BIS-(4-NITROPHENYL)-3,7-DIMETHYL-9-OXO-3,7-DIAZABICYCLO-[3.3.1]-NONANE-1,5-DICARBOXYLATE

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CIS-DIMERHYL-2,4-BIS-(4-NITROPHENYL)-3,7-DIMETHYL-9-OXO-3,7-DIAZABICYCLO-[3.3.1]-NONANE-1,5-DICARBOXYLATE
SpectraBase Compound ID 6Hs7OQsM7r9
InChI InChI=1S/2C25H26N4O9/c2*1-26-13-24(22(31)37-3)19(15-5-9-17(10-6-15)28(33)34)27(2)20(16-7-11-18(12-8-16)29(35)36)25(14-26,21(24)30)23(32)38-4/h2*5-12,19-20H,13-14H2,1-4H3
InChIKey CUYIDGYAIFBBNF-UHFFFAOYSA-N
Mol Weight 1053.0 g/mol
Molecular Formula C50H52N8O18
Exact Mass 1052.339957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrRrHfCsPbE
Name CIS-DIMERHYL-2,4-BIS-(4-NITROPHENYL)-3,7-DIMETHYL-9-OXO-3,7-DIAZABICYCLO-[3.3.1]-NONANE-1,5-DICARBOXYLATE
Compound Number 2,CIS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H52N8O18
InChI InChI=1S/2C25H26N4O9/c2*1-26-13-24(22(31)37-3)19(15-5-9-17(10-6-15)28(33)34)27(2)20(16-7-11-18(12-8-16)29(35)36)25(14-26,21(24)30)23(32)38-4/h2*5-12,19-20H,13-14H2,1-4H3
InChIKey CUYIDGYAIFBBNF-UHFFFAOYSA-N
Literature Reference Author T.SIENER,U.HOLZGRABE,S.DROSIHN,W.BRANDT
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1827(1999)
Literature Reference DOI 10.1039/a806641h
Molecular Weight 1053.006 g/mol
Solvent METHANOL-D4
Source File Reference UWRU10524