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2,4,6-TRIS-(3-AZATRICYCLO-[3.2.1.0]-OCT-3-YL)-3,5-DICYANOPYRIDINE
SpectraBase Compound ID 9BDz27tidZz
InChI InChI=1S/C28H30N6/c29-10-18-26(32-20-12-1-2-13(7-12)21(20)32)19(11-30)28(34-24-16-5-6-17(9-16)25(24)34)31-27(18)33-22-14-3-4-15(8-14)23(22)33/h12-17,20-25H,1-9H2/t12-,13+,14-,15+,16-,17+,20-,21-,22-,23-,24+,25+,32?,33?,34?/m1/s1
InChIKey WLEJOHHFHBWYDA-MDKJUMCCSA-N
Mol Weight 450.59 g/mol
Molecular Formula C28H30N6
Exact Mass 450.253195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0v2ZvIMGen
Name 2,4,6-TRIS-(3-AZATRICYCLO-[3.2.1.0]-OCT-3-YL)-3,5-DICYANOPYRIDINE
Compound Number IV-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N6
InChI InChI=1S/C28H30N6/c29-10-18-26(32-20-12-1-2-13(7-12)21(20)32)19(11-30)28(34-24-16-5-6-17(9-16)25(24)34)31-27(18)33-22-14-3-4-15(8-14)23(22)33/h12-17,20-25H,1-9H2/t12-,13+,14-,15+,16-,17+,20-,21-,22-,23-,24+,25+,32?,33?,34?/m1/s1
InChIKey WLEJOHHFHBWYDA-MDKJUMCCSA-N
Literature Reference Author S.V.CHAPYSHEV,V.M.ANISIMOV
Literature Reference Citation CHEM.HET.COMP.,33,1315(1997)
Literature Reference DOI 10.1007/bf02320334
Molecular Weight 450.586 g/mol
Solvent CDCl3
Source File Reference UWMZ14474