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5-(5''-(4-METHYLPHENYL)-[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-METHYLPHENYL)-[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 HcobcYqy4lJ
InChI InChI=1S/C18H21N7OS/c1-12-5-7-13(8-6-12)17-22-20-15(26-17)11-27-18-23-21-16(25(18)19)14-4-3-9-24(2)10-14/h4-8H,3,9-11,19H2,1-2H3
InChIKey BUWKKOKMPLESRR-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C18H21N7OS
Exact Mass 383.152829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IjVu1ro98OP
Name 5-(5''-(4-METHYLPHENYL)-[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 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21N7OS
InChI InChI=1S/C18H21N7OS/c1-12-5-7-13(8-6-12)17-22-20-15(26-17)11-27-18-23-21-16(25(18)19)14-4-3-9-24(2)10-14/h4-8H,3,9-11,19H2,1-2H3
InChIKey BUWKKOKMPLESRR-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 383.471 g/mol
Sample ID 35903
Solvent DMSO-D6