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3-(2-AMINOBENZIMIDAZOL-1-YL)-3-(4-CHLOROPHENYL)-PROPIONIC-ACID-BENZIMIDAZOL-2-YLAMIDINE
SpectraBase Compound ID CNa90fSUtbT
InChI InChI=1S/C23H20ClN7/c24-15-11-9-14(10-12-15)20(31-19-8-4-3-7-18(19)27-22(31)26)13-21(25)30-23-28-16-5-1-2-6-17(16)29-23/h1-12,20H,13H2,(H2,26,27)(H3,25,28,29,30)
InChIKey ZYIZPSHMZGVSJU-UHFFFAOYSA-N
Mol Weight 429.92 g/mol
Molecular Formula C23H20ClN7
Exact Mass 429.146871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID d0M8Rh9l7B
Name 3-(2-AMINOBENZIMIDAZOL-1-YL)-3-(4-CHLOROPHENYL)-PROPIONIC-ACID-BENZIMIDAZOL-2-YLAMIDINE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20ClN7
InChI InChI=1S/C23H20ClN7/c24-15-11-9-14(10-12-15)20(31-19-8-4-3-7-18(19)27-22(31)26)13-21(25)30-23-28-16-5-1-2-6-17(16)29-23/h1-12,20H,13H2,(H2,26,27)(H3,25,28,29,30)
InChIKey ZYIZPSHMZGVSJU-UHFFFAOYSA-N
Literature Reference Author S.A.KOMYKHOV,K.S.OSTRAS,A.R.KOSTANYAN,S.M.DESENKO,V.D.ORLOV, H.MEIER
Literature Reference Citation J.HETCYCL.CHEM.,42,1111(2005)
Literature Reference DOI 10.1002/jhet.5570420612
Molecular Weight 429.912 g/mol
Sample ID 42206
Solvent DMSO-D6