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5-(5''-(4-FLUOROPHENYL)-[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-FLUOROPHENYL)-[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 HYFkTFz0Z8k
InChI InChI=1S/C17H18FN7OS/c1-24-8-2-3-12(9-24)15-21-23-17(25(15)19)27-10-14-20-22-16(26-14)11-4-6-13(18)7-5-11/h3-7H,2,8-10,19H2,1H3
InChIKey XCDOQFDRXQDYMV-UHFFFAOYSA-N
Mol Weight 387.44 g/mol
Molecular Formula C17H18FN7OS
Exact Mass 387.127758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uHe0VIgYGc
Name 5-(5''-(4-FLUOROPHENYL)-[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 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18FN7OS
InChI InChI=1S/C17H18FN7OS/c1-24-8-2-3-12(9-24)15-21-23-17(25(15)19)27-10-14-20-22-16(26-14)11-4-6-13(18)7-5-11/h3-7H,2,8-10,19H2,1H3
InChIKey XCDOQFDRXQDYMV-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 387.435 g/mol
Sample ID 35907
Solvent DMSO-D6