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4-{5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL}-PHENYLBORONIC-ACID-MONOACETATE
SpectraBase Compound ID EikZzUY5UWf
InChI InChI=1S/C27H27BN6O3/c1-17(35)37-28(36)20-6-3-18(4-7-20)26-29-22-9-5-19(15-24(22)31-26)27-30-23-10-8-21(16-25(23)32-27)34-13-11-33(2)12-14-34/h3-10,15-16,36H,11-14H2,1-2H3,(H,29,31)(H,30,32)
InChIKey TWDFXCNLQQPQMQ-UHFFFAOYSA-N
Mol Weight 494.4 g/mol
Molecular Formula C27H27BN6O3
Exact Mass 494.223769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3AEKut7yu2C
Name 4-{5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL}-PHENYLBORONIC-ACID-MONOACETATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27BN6O3
InChI InChI=1S/C27H27BN6O3/c1-17(35)37-28(36)20-6-3-18(4-7-20)26-29-22-9-5-19(15-24(22)31-26)27-30-23-10-8-21(16-25(23)32-27)34-13-11-33(2)12-14-34/h3-10,15-16,36H,11-14H2,1-2H3,(H,29,31)(H,30,32)
InChIKey TWDFXCNLQQPQMQ-UHFFFAOYSA-N
Literature Reference Author D.P.KELLY,S.A.BATEMAN,R.F.MARTIN,M.E.REUM,M.ROSE,A.R.D.WHITT AKER
Literature Reference Citation AUSTR.J.CHEM.,47,247(1994)
Literature Reference DOI 10.1071/ch9940247
Molecular Weight 494.360 g/mol
Solvent CD3OD
Source File Reference UWRK1381