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1-PHENYL-3-[3-CYCLOHEXYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
SpectraBase Compound ID K1t4yelE4Sa
InChI InChI=1S/C26H25N5OS/c33-26-31(16-27-18-11-5-2-6-12-18)30-25(32-26)22-15-20-19-13-7-8-14-21(19)28-24(20)23(29-22)17-9-3-1-4-10-17/h1,3-4,7-10,13-15,18,27-28H,2,5-6,11-12,16H2
InChIKey DPIQCLBJAQHTMK-UHFFFAOYSA-N
Mol Weight 455.58 g/mol
Molecular Formula C26H25N5OS
Exact Mass 455.177982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wRy135Jnui
Name 1-PHENYL-3-[3-CYCLOHEXYLAMINO-(METHYL)-2-THIOXO-1,3,4-OXADIAZOL-5-YL]-BETA-CARBOLINE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H25N5OS
InChI InChI=1S/C26H25N5OS/c33-26-31(16-27-18-11-5-2-6-12-18)30-25(32-26)22-15-20-19-13-7-8-14-21(19)28-24(20)23(29-22)17-9-3-1-4-10-17/h1,3-4,7-10,13-15,18,27-28H,2,5-6,11-12,16H2
InChIKey DPIQCLBJAQHTMK-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 455.577 g/mol
Source File Reference UWBT5835