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1-(3-NITROPHENYL)-3-[3-ISOPROPYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID L4fJryxC8rB
InChI InChI=1S/C23H20N6O3S/c1-13(2)24-12-28-23(33)32-22(27-28)19-11-17-16-8-3-4-9-18(16)25-21(17)20(26-19)14-6-5-7-15(10-14)29(30)31/h3-11,13,24-25H,12H2,1-2H3
InChIKey AOURAUBBBWAUFM-UHFFFAOYSA-N
Mol Weight 460.51 g/mol
Molecular Formula C23H20N6O3S
Exact Mass 460.13176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jyrb4umeNVR
Name 1-(3-NITROPHENYL)-3-[3-ISOPROPYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20N6O3S
InChI InChI=1S/C23H20N6O3S/c1-13(2)24-12-28-23(33)32-22(27-28)19-11-17-16-8-3-4-9-18(16)25-21(17)20(26-19)14-6-5-7-15(10-14)29(30)31/h3-11,13,24-25H,12H2,1-2H3
InChIKey AOURAUBBBWAUFM-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 460.510 g/mol
Source File Reference UWBT5830