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1-(3-NITROPHENYL)-3-[3-BENZYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID FPTIZQ8tUay
InChI InChI=1S/C27H20N6O3S/c34-33(35)19-10-6-9-18(13-19)24-25-21(20-11-4-5-12-22(20)29-25)14-23(30-24)26-31-32(27(37)36-26)16-28-15-17-7-2-1-3-8-17/h1-14,28-29H,15-16H2
InChIKey CGFUAYFQAKQGBQ-UHFFFAOYSA-N
Mol Weight 508.56 g/mol
Molecular Formula C27H20N6O3S
Exact Mass 508.13176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlGiaZDYmhe
Name 1-(3-NITROPHENYL)-3-[3-BENZYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H20N6O3S
InChI InChI=1S/C27H20N6O3S/c34-33(35)19-10-6-9-18(13-19)24-25-21(20-11-4-5-12-22(20)29-25)14-23(30-24)26-31-32(27(37)36-26)16-28-15-17-7-2-1-3-8-17/h1-14,28-29H,15-16H2
InChIKey CGFUAYFQAKQGBQ-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 508.554 g/mol
Source File Reference UWBT5839