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2-NITRO-1-[5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
SpectraBase Compound ID GYwCSHU6ljh
InChI InChI=1S/C25H23N7O2/c1-30-10-12-31(13-11-30)17-7-9-20-22(15-17)28-24(26-20)16-6-8-19-21(14-16)29-25(27-19)18-4-2-3-5-23(18)32(33)34/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)
InChIKey DPHCAOBLXHRRSP-UHFFFAOYSA-N
Mol Weight 453.51 g/mol
Molecular Formula C25H23N7O2
Exact Mass 453.191323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8qXnZsSRdf
Name 2-NITRO-1-[5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23N7O2
InChI InChI=1S/C25H23N7O2/c1-30-10-12-31(13-11-30)17-7-9-20-22(15-17)28-24(26-20)16-6-8-19-21(14-16)29-25(27-19)18-4-2-3-5-23(18)32(33)34/h2-9,14-15H,10-13H2,1H3,(H,26,28)(H,27,29)
InChIKey DPHCAOBLXHRRSP-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 453.503 g/mol
Solvent CD3OD+AA
Source File Reference UWVP5529