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4'-[N-(6-CHLORO-2-METHOXYACRIDINE-9-AMINOETHANETHIO)]-2,2':6',2''-TERPYRIDINE
SpectraBase Compound ID 2k53RemBAHO
InChI InChI=1S/C31H24ClN5OS/c1-38-21-9-11-25-24(17-21)31(23-10-8-20(32)16-28(23)36-25)35-14-15-39-22-18-29(26-6-2-4-12-33-26)37-30(19-22)27-7-3-5-13-34-27/h2-13,16-19H,14-15H2,1H3,(H,35,36)
InChIKey MOBBGQXUCGRJGN-UHFFFAOYSA-N
Mol Weight 550.08 g/mol
Molecular Formula C31H24ClN5OS
Exact Mass 549.139009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cWWF7XjCd1
Name 4'-[N-(6-CHLORO-2-METHOXYACRIDINE-9-AMINOETHANETHIO)]-2,2':6',2''-TERPYRIDINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H24ClN5OS
InChI InChI=1S/C31H24ClN5OS/c1-38-21-9-11-25-24(17-21)31(23-10-8-20(32)16-28(23)36-25)35-14-15-39-22-18-29(26-6-2-4-12-33-26)37-30(19-22)27-7-3-5-13-34-27/h2-13,16-19H,14-15H2,1H3,(H,35,36)
InChIKey MOBBGQXUCGRJGN-UHFFFAOYSA-N
Literature Reference Author O.INHOFF,J.M.RICHARDS,J.W.BRIET,G.LOWE,R.L.KRAUTH-SIEGEL
Literature Reference Citation J.MED.CHEM.,45,4524(2002)
Literature Reference DOI 10.1021/jm020885k
Molecular Weight 550.077 g/mol
Sample ID 65092
Solvent CD2Cl2