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5-(5''-(4-METHOXYPHENYL)-[1'',3'',4'']-OXADIAZOL-2''-YLMETHYLSULFANYL)-3-(1'-METHYL-1',2',5',6'-TETRAHYDROPYRIDIN-3'-YL)-[1,2,4]-TRIAZOL-4-YL-AMINE

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5-(5''-(4-METHOXYPHENYL)-[1'',3'',4'']-OXADIAZOL-2''-YLMETHYLSULFANYL)-3-(1'-METHYL-1',2',5',6'-TETRAHYDROPYRIDIN-3'-YL)-[1,2,4]-TRIAZOL-4-YL-AMINE
SpectraBase Compound ID 2rZY11nZJZe
InChI InChI=1S/C18H21N7O2S/c1-24-9-3-4-13(10-24)16-21-23-18(25(16)19)28-11-15-20-22-17(27-15)12-5-7-14(26-2)8-6-12/h4-8H,3,9-11,19H2,1-2H3
InChIKey QAPLITPOKVLUHV-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C18H21N7O2S
Exact Mass 399.147744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAkqVVwAcp9
Name 5-(5''-(4-METHOXYPHENYL)-[1'',3'',4'']-OXADIAZOL-2''-YLMETHYLSULFANYL)-3-(1'-METHYL-1',2',5',6'-TETRAHYDROPYRIDIN-3'-YL)-[1,2,4]-TRIAZOL-4-YL-AMINE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21N7O2S
InChI InChI=1S/C18H21N7O2S/c1-24-9-3-4-13(10-24)16-21-23-18(25(16)19)28-11-15-20-22-17(27-15)12-5-7-14(26-2)8-6-12/h4-8H,3,9-11,19H2,1-2H3
InChIKey QAPLITPOKVLUHV-UHFFFAOYSA-N
Literature Reference Author G.Q.HU,S.LI,W.L.HUANG,H.WANG
Literature Reference Citation CHIN.CHEM.LETT.,17,19(2006)
Molecular Weight 399.470 g/mol
Sample ID 35901
Solvent DMSO-D6