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1-(3-NITROPHENYL)-3-[3-BUTYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID CU4YMvpJ8Ns
InChI InChI=1S/C24H22N6O3S/c1-2-3-11-25-14-29-24(34)33-23(28-29)20-13-18-17-9-4-5-10-19(17)26-22(18)21(27-20)15-7-6-8-16(12-15)30(31)32/h4-10,12-13,25-26H,2-3,11,14H2,1H3
InChIKey MJPJOMORZWQTFI-UHFFFAOYSA-N
Mol Weight 474.54 g/mol
Molecular Formula C24H22N6O3S
Exact Mass 474.14741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 995OiJtsA6S
Name 1-(3-NITROPHENYL)-3-[3-BUTYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22N6O3S
InChI InChI=1S/C24H22N6O3S/c1-2-3-11-25-14-29-24(34)33-23(28-29)20-13-18-17-9-4-5-10-19(17)26-22(18)21(27-20)15-7-6-8-16(12-15)30(31)32/h4-10,12-13,25-26H,2-3,11,14H2,1H3
InChIKey MJPJOMORZWQTFI-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 474.537 g/mol
Source File Reference UWBT5833