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3-(BENZIMIDAZOL-2-YLAMINO)-1-(4-CHLOROPHENYL)-1,2-DIHYDROPYRIMIDINO-[1,2-A]-BENZIMIDAZOLE
SpectraBase Compound ID B8X2zRecv6l
InChI InChI=1S/C23H17ClN6/c24-15-11-9-14(10-12-15)20-13-21(28-22-25-16-5-1-2-6-17(16)26-22)29-23-27-18-7-3-4-8-19(18)30(20)23/h1-12,20H,13H2,(H2,25,26,27,28,29)
InChIKey BHZQACGMZFILHY-UHFFFAOYSA-N
Mol Weight 412.88 g/mol
Molecular Formula C23H17ClN6
Exact Mass 412.120322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Yg5LLZrmXR
Name 3-(BENZIMIDAZOL-2-YLAMINO)-1-(4-CHLOROPHENYL)-1,2-DIHYDROPYRIMIDINO-[1,2-A]-BENZIMIDAZOLE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H17ClN6
InChI InChI=1S/C23H17ClN6/c24-15-11-9-14(10-12-15)20-13-21(28-22-25-16-5-1-2-6-17(16)26-22)29-23-27-18-7-3-4-8-19(18)30(20)23/h1-12,20H,13H2,(H2,25,26,27,28,29)
InChIKey BHZQACGMZFILHY-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 412.881 g/mol
Sample ID 42207
Solvent DMSO-D6