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3-{5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL}-PHENYLBORONIC-ACID-DIACETATE
SpectraBase Compound ID 7TBoDZOHJqF
InChI InChI=1S/C29H29BN6O4/c1-18(37)39-30(40-19(2)38)22-6-4-5-20(15-22)28-31-24-9-7-21(16-26(24)33-28)29-32-25-10-8-23(17-27(25)34-29)36-13-11-35(3)12-14-36/h4-10,15-17H,11-14H2,1-3H3,(H,31,33)(H,32,34)
InChIKey MZRWYCJIZHRNFR-UHFFFAOYSA-N
Mol Weight 536.4 g/mol
Molecular Formula C29H29BN6O4
Exact Mass 536.234334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dqq1kk50fd
Name 3-{5'-[5''-(4'''-METHYLPIPERAZIN-1'''-YL)-BENZIMIDAZOL-2''-YL]-BENZIMIDAZOL-2'-YL}-PHENYLBORONIC-ACID-DIACETATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H29BN6O4
InChI InChI=1S/C29H29BN6O4/c1-18(37)39-30(40-19(2)38)22-6-4-5-20(15-22)28-31-24-9-7-21(16-26(24)33-28)29-32-25-10-8-23(17-27(25)34-29)36-13-11-35(3)12-14-36/h4-10,15-17H,11-14H2,1-3H3,(H,31,33)(H,32,34)
InChIKey MZRWYCJIZHRNFR-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 536.397 g/mol
Solvent CD3OD
Source File Reference UWRK1380