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3-[(1,2-DICARBA-CLOSO-DODECABORANYL)-METHOXY]-1-[5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE

View entire compound with spectra: 1 NMR

3-[(1,2-DICARBA-CLOSO-DODECABORANYL)-METHOXY]-1-[5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
SpectraBase Compound ID 1kWBFxfjF4m
InChI InChI=1S/C28H36B10N6O/c1-43-9-11-44(12-10-43)21-6-8-24-26(15-21)42-28(40-24)19-5-7-23-25(14-19)41-27(39-23)18-3-2-4-22(13-18)45-17-20-16-29-31-33-35-37-38-36-34-32-30-20/h2-8,13-16,29-38H,9-12,17H2,1H3,(H,39,41)(H,40,42)/b20-16-
InChIKey OCXKNUNREQTASO-SILNSSARSA-N
Mol Weight 581 g/mol
Molecular Formula C28H36B10N6O
Exact Mass 582.388112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DS5dWVUR3EJ
Name 3-[(1,2-DICARBA-CLOSO-DODECABORANYL)-METHOXY]-1-[5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36B10N6O
InChI InChI=1S/C28H36B10N6O/c1-43-9-11-44(12-10-43)21-6-8-24-26(15-21)42-28(40-24)19-5-7-23-25(14-19)41-27(39-23)18-3-2-4-22(13-18)45-17-20-16-29-31-33-35-37-38-36-34-32-30-20/h2-8,13-16,29-38H,9-12,17H2,1H3,(H,39,41)(H,40,42)/b20-16-
InChIKey OCXKNUNREQTASO-SILNSSARSA-N
Literature Reference Author S.A.BATEMAN,D.P.KELLY,R.F.MARTIN,J.M.WHITE
Literature Reference Citation AUSTR.J.CHEM.,52,291(1999)
Literature Reference DOI 10.1071/C98148
Molecular Weight 580.733 g/mol
Solvent CD3OD:TRIFLUOROACETIC-ACID
Source File Reference UWSI3780