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5-(5''-(4-NITROPHENYL)-[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-NITROPHENYL)-[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 EiLl9vuwJn3
InChI InChI=1S/C17H18N8O3S/c1-23-8-2-3-12(9-23)15-20-22-17(24(15)18)29-10-14-19-21-16(28-14)11-4-6-13(7-5-11)25(26)27/h3-7H,2,8-10,18H2,1H3
InChIKey GKWDNBHWPBSBKB-UHFFFAOYSA-N
Mol Weight 414.44 g/mol
Molecular Formula C17H18N8O3S
Exact Mass 414.122258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84HGZSBuLAe
Name 5-(5''-(4-NITROPHENYL)-[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 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N8O3S
InChI InChI=1S/C17H18N8O3S/c1-23-8-2-3-12(9-23)15-20-22-17(24(15)18)29-10-14-19-21-16(28-14)11-4-6-13(7-5-11)25(26)27/h3-7H,2,8-10,18H2,1H3
InChIKey GKWDNBHWPBSBKB-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 414.442 g/mol
Sample ID 35909
Solvent DMSO-D6