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3,8-DI-[2-(PARA-CYANOPHENYL)-1-AZENYL]-1,3,6,8-TETRAAZABICYCLO-[4.4.1]-UNDECANE
SpectraBase Compound ID LkR7nyQfp9O
InChI InChI=1S/C21H22N10/c22-13-18-1-5-20(6-2-18)24-26-30-11-9-29-15-28(16-30)10-12-31(17-29)27-25-21-7-3-19(14-23)4-8-21/h1-8H,9-12,15-17H2/b26-24+,27-25+
InChIKey AYMKSEZZSSQSQL-OWUYFMIJSA-N
Mol Weight 414.48 g/mol
Molecular Formula C21H22N10
Exact Mass 414.202891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBj2s2cMUtN
Name 3,8-DI-[2-(PARA-CYANOPHENYL)-1-AZENYL]-1,3,6,8-TETRAAZABICYCLO-[4.4.1]-UNDECANE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N10
InChI InChI=1S/C21H22N10/c22-13-18-1-5-20(6-2-18)24-26-30-11-9-29-15-28(16-30)10-12-31(17-29)27-25-21-7-3-19(14-23)4-8-21/h1-8H,9-12,15-17H2/b26-24+,27-25+
InChIKey AYMKSEZZSSQSQL-OWUYFMIJSA-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 414.473 g/mol
Sample ID 26769
Solvent CDCl3