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1-(4-N,N-DIMETHYLAMINOPHENYL)-3-[3-BUTYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID BqPncFL6eDI
InChI InChI=1S/C26H28N6OS/c1-4-5-14-27-16-32-26(34)33-25(30-32)22-15-20-19-8-6-7-9-21(19)28-24(20)23(29-22)17-10-12-18(13-11-17)31(2)3/h6-13,15,27-28H,4-5,14,16H2,1-3H3
InChIKey OVEJULQBCCLLGM-UHFFFAOYSA-N
Mol Weight 472.61 g/mol
Molecular Formula C26H28N6OS
Exact Mass 472.204531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENiIqpWHc4i
Name 1-(4-N,N-DIMETHYLAMINOPHENYL)-3-[3-BUTYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28N6OS
InChI InChI=1S/C26H28N6OS/c1-4-5-14-27-16-32-26(34)33-25(30-32)22-15-20-19-8-6-7-9-21(19)28-24(20)23(29-22)17-10-12-18(13-11-17)31(2)3/h6-13,15,27-28H,4-5,14,16H2,1-3H3
InChIKey OVEJULQBCCLLGM-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 472.608 g/mol
Source File Reference UWBT5834