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1-(4-N,N-DIMETHYLAMINOPHENYL)-3-[3-CYCLOHEXYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID 1hV9FOpMmW0
InChI InChI=1S/C28H30N6OS/c1-33(2)20-14-12-18(13-15-20)25-26-22(21-10-6-7-11-23(21)30-26)16-24(31-25)27-32-34(28(36)35-27)17-29-19-8-4-3-5-9-19/h6-7,10-16,19,29-30H,3-5,8-9,17H2,1-2H3
InChIKey ZBJUNMAWGFYRRA-UHFFFAOYSA-N
Mol Weight 498.65 g/mol
Molecular Formula C28H30N6OS
Exact Mass 498.220181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVxFO5OEmjS
Name 1-(4-N,N-DIMETHYLAMINOPHENYL)-3-[3-CYCLOHEXYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30N6OS
InChI InChI=1S/C28H30N6OS/c1-33(2)20-14-12-18(13-15-20)25-26-22(21-10-6-7-11-23(21)30-26)16-24(31-25)27-32-34(28(36)35-27)17-29-19-8-4-3-5-9-19/h6-7,10-16,19,29-30H,3-5,8-9,17H2,1-2H3
InChIKey ZBJUNMAWGFYRRA-UHFFFAOYSA-N
Literature Reference Author F.C.SAVARIZ,A.S.N.FORMAGIO,V.A.BARBOSA,M.A.FOGLIO,J.E.D.CARV ALHO,M.C.T.DUARTE
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,288(2010)
Literature Reference DOI 10.1590/s0103-50532010000200014
Molecular Weight 498.646 g/mol
Source File Reference UWBT5837