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3-NITRO-1-[5'-[5''-(PIPERIDIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
SpectraBase Compound ID ANMo7sRm6D
InChI InChI=1S/C25H22N6O2/c32-31(33)19-6-4-5-16(13-19)24-26-20-9-7-17(14-22(20)28-24)25-27-21-10-8-18(15-23(21)29-25)30-11-2-1-3-12-30/h4-10,13-15H,1-3,11-12H2,(H,26,28)(H,27,29)
InChIKey OOPWLIKYMPXVHJ-UHFFFAOYSA-N
Mol Weight 438.49 g/mol
Molecular Formula C25H22N6O2
Exact Mass 438.180424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IuLninZnS9k
Name 3-NITRO-1-[5'-[5''-(PIPERIDIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22N6O2
InChI InChI=1S/C25H22N6O2/c32-31(33)19-6-4-5-16(13-19)24-26-20-9-7-17(14-22(20)28-24)25-27-21-10-8-18(15-23(21)29-25)30-11-2-1-3-12-30/h4-10,13-15H,1-3,11-12H2,(H,26,28)(H,27,29)
InChIKey OOPWLIKYMPXVHJ-UHFFFAOYSA-N
Literature Reference Author D.P.KELLY,S.A.BATEMAN,R.J.HOOK,R.F.MARTIN,M.E.REUM,M.ROSE,A. R.D.WHITTAKER
Literature Reference Citation AUSTR.J.CHEM.,47,1751(1994)
Literature Reference DOI 10.1071/ch9941751
Molecular Weight 438.489 g/mol
Solvent CD3OD/D6-DMSO=1:1+AA
Source File Reference UWVP5532