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1-(4-N,N-DIMETHYLAMINOPHENYL)-3-[3-ISOPROPYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID LJN1kSXmZ4o
InChI InChI=1S/C25H26N6OS/c1-15(2)26-14-31-25(33)32-24(29-31)21-13-19-18-7-5-6-8-20(18)27-23(19)22(28-21)16-9-11-17(12-10-16)30(3)4/h5-13,15,26-27H,14H2,1-4H3
InChIKey OPEGSEVBDXPSEH-UHFFFAOYSA-N
Mol Weight 458.58 g/mol
Molecular Formula C25H26N6OS
Exact Mass 458.188881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4webSxdpYaL
Name 1-(4-N,N-DIMETHYLAMINOPHENYL)-3-[3-ISOPROPYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26N6OS
InChI InChI=1S/C25H26N6OS/c1-15(2)26-14-31-25(33)32-24(29-31)21-13-19-18-7-5-6-8-20(18)27-23(19)22(28-21)16-9-11-17(12-10-16)30(3)4/h5-13,15,26-27H,14H2,1-4H3
InChIKey OPEGSEVBDXPSEH-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 458.581 g/mol
Source File Reference UWBT5831