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5-(2-CYANOETHYL)-8-(2-PICOLYL)-1,5,8,12-TETRAAZABICYCLO-[10.2.2]-HEXADECANE-13,14-DIONE
SpectraBase Compound ID BfMm1S1va59
InChI InChI=1S/C21H30N6O2/c22-7-3-9-24-10-4-12-26-16-17-27(21(29)20(26)28)13-5-11-25(15-14-24)18-19-6-1-2-8-23-19/h1-2,6,8H,3-5,9-18H2
InChIKey GPHUOBDAAFKPHR-UHFFFAOYSA-N
Mol Weight 398.51 g/mol
Molecular Formula C21H30N6O2
Exact Mass 398.243024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSyhTQI4rPS
Name 5-(2-CYANOETHYL)-8-(2-PICOLYL)-1,5,8,12-TETRAAZABICYCLO-[10.2.2]-HEXADECANE-13,14-DIONE
Compound Number 9A'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30N6O2
InChI InChI=1S/C21H30N6O2/c22-7-3-9-24-10-4-12-26-16-17-27(21(29)20(26)28)13-5-11-25(15-14-24)18-19-6-1-2-8-23-19/h1-2,6,8H,3-5,9-18H2
InChIKey GPHUOBDAAFKPHR-UHFFFAOYSA-N
Literature Reference Author F.BELLOUARD,F.CHUBURU,N.KERVAREC,L.TOUPET,S.TRIKI,Y.L.MEST,H .HANDEL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3499(1999)
Literature Reference DOI 10.1039/a905701c
Molecular Weight 398.508 g/mol
Solvent CDCl3