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4-[(1,2-DICARBA-CLOSO-DODECABORANYL)-METHOXY]-1-[5'-[5''-(PIPERIDIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
SpectraBase Compound ID kzif5bP9lC
InChI InChI=1S/C28H35B10N5O/c1-2-11-43(12-3-1)21-8-10-24-26(15-21)42-28(40-24)19-7-9-23-25(14-19)41-27(39-23)18-5-4-6-22(13-18)44-17-20-16-29-31-33-35-37-38-36-34-32-30-20/h4-10,13-16,29-38H,1-3,11-12,17H2,(H,39,41)(H,40,42)/b20-16-
InChIKey HYADXKJILVRENW-SILNSSARSA-N
Mol Weight 566 g/mol
Molecular Formula C28H35B10N5O
Exact Mass 567.377212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kfezt8iEmHG
Name 4-[(1,2-DICARBA-CLOSO-DODECABORANYL)-METHOXY]-1-[5'-[5''-(PIPERIDIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL]-BENZENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35B10N5O
InChI InChI=1S/C28H35B10N5O/c1-2-11-43(12-3-1)21-8-10-24-26(15-21)42-28(40-24)19-7-9-23-25(14-19)41-27(39-23)18-5-4-6-22(13-18)44-17-20-16-29-31-33-35-37-38-36-34-32-30-20/h4-10,13-16,29-38H,1-3,11-12,17H2,(H,39,41)(H,40,42)/b20-16-
InChIKey HYADXKJILVRENW-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 565.719 g/mol
Solvent CD3OD:DMSO-D6:ACETIC-ACID
Source File Reference UWSI3771