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3,8-DI-[2-(PARA-ETHOXYCARBONYLPHENYL)-1-AZENYL]-1,3,6,8-TETRAAZABICYCLO-[4.4.1]-UNDECANE
SpectraBase Compound ID LLknUCEqWcQ
InChI InChI=1S/C25H32N8O4/c1-3-36-24(34)20-5-9-22(10-6-20)26-28-32-15-13-31-17-30(18-32)14-16-33(19-31)29-27-23-11-7-21(8-12-23)25(35)37-4-2/h5-12H,3-4,13-19H2,1-2H3/b28-26+,29-27+
InChIKey NSFIAPVBFMZXDB-TUUFZWAFSA-N
Mol Weight 508.6 g/mol
Molecular Formula C25H32N8O4
Exact Mass 508.254652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KIQeyGPjhHM
Name 3,8-DI-[2-(PARA-ETHOXYCARBONYLPHENYL)-1-AZENYL]-1,3,6,8-TETRAAZABICYCLO-[4.4.1]-UNDECANE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32N8O4
InChI InChI=1S/C25H32N8O4/c1-3-36-24(34)20-5-9-22(10-6-20)26-28-32-15-13-31-17-30(18-32)14-16-33(19-31)29-27-23-11-7-21(8-12-23)25(35)37-4-2/h5-12H,3-4,13-19H2,1-2H3/b28-26+,29-27+
InChIKey NSFIAPVBFMZXDB-TUUFZWAFSA-N
Literature Reference Author M.B.PEORI,K.VAUGHAN,D.L.HOOPER
Literature Reference Citation J.ORG.CHEM.,63,7437(1998)
Literature Reference DOI 10.1021/jo981276g
Molecular Weight 508.580 g/mol
Sample ID 26772
Solvent CDCl3