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1-PHENYL-3-[3-BENZYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID ISCxRsePhyf
InChI InChI=1S/C27H21N5OS/c34-27-32(17-28-16-18-9-3-1-4-10-18)31-26(33-27)23-15-21-20-13-7-8-14-22(20)29-25(21)24(30-23)19-11-5-2-6-12-19/h1-15,28-29H,16-17H2
InChIKey MHMQADCOCNBCMO-UHFFFAOYSA-N
Mol Weight 463.56 g/mol
Molecular Formula C27H21N5OS
Exact Mass 463.146681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IPCUsymxQL
Name 1-PHENYL-3-[3-BENZYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H21N5OS
InChI InChI=1S/C27H21N5OS/c34-27-32(17-28-16-18-9-3-1-4-10-18)31-26(33-27)23-15-21-20-13-7-8-14-22(20)29-25(21)24(30-23)19-11-5-2-6-12-19/h1-15,28-29H,16-17H2
InChIKey MHMQADCOCNBCMO-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 463.557 g/mol
Source File Reference UWBT5838