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2-[2'-(4''-ETHOXYPHENYL)-1H-INDOL-6'-YL)]-5-(4'''-METHYLPIPERAZIN-1'''-YL)-1H-BENZIMIDAZOLE

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2-[2'-(4''-ETHOXYPHENYL)-1H-INDOL-6'-YL)]-5-(4'''-METHYLPIPERAZIN-1'''-YL)-1H-BENZIMIDAZOLE
SpectraBase Compound ID Hv51WP9uiz3
InChI InChI=1S/C28H29N5O/c1-3-34-23-9-6-19(7-10-23)25-16-20-4-5-21(17-26(20)29-25)28-30-24-11-8-22(18-27(24)31-28)33-14-12-32(2)13-15-33/h4-11,16-18,29H,3,12-15H2,1-2H3,(H,30,31)
InChIKey BFOGKNBTAHIUTB-UHFFFAOYSA-N
Mol Weight 451.57 g/mol
Molecular Formula C28H29N5O
Exact Mass 451.237211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H6ngl32VaPS
Name 2-[2'-(4''-ETHOXYPHENYL)-1H-INDOL-6'-YL)]-5-(4'''-METHYLPIPERAZIN-1'''-YL)-1H-BENZIMIDAZOLE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29N5O
InChI InChI=1S/C28H29N5O/c1-3-34-23-9-6-19(7-10-23)25-16-20-4-5-21(17-26(20)29-25)28-30-24-11-8-22(18-27(24)31-28)33-14-12-32(2)13-15-33/h4-11,16-18,29H,3,12-15H2,1-2H3,(H,30,31)
InChIKey BFOGKNBTAHIUTB-UHFFFAOYSA-N
Literature Reference Author C.I.CLARK,J.M.WHITE,D.P.KELLY,R.F.MARTIN,P.LOBACHEVSKY
Literature Reference Citation AUSTR.J.CHEM.,51,243(1998)
Literature Reference DOI 10.1071/C97115
Molecular Weight 451.571 g/mol
Solvent CD3OD:CH3SO3H
Source File Reference UWRU53