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6-(4-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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6-(4-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 4dFPnrCsQTm
InChI InChI=1S/C19H14BrN7S/c1-11-3-9-15(10-4-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)13-5-7-14(20)8-6-13/h3-10H,1-2H3
InChIKey RYQDWFDKQXGXMG-UHFFFAOYSA-N
Mol Weight 452.33 g/mol
Molecular Formula C19H14BrN7S
Exact Mass 451.021478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43N9cX8xNVe
Name 6-(4-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14BrN7S
InChI InChI=1S/C19H14BrN7S/c1-11-3-9-15(10-4-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)13-5-7-14(20)8-6-13/h3-10H,1-2H3
InChIKey RYQDWFDKQXGXMG-UHFFFAOYSA-N
Literature Reference Author H.S.DONG,B.QUAN,K.WEI,Q.L.WANG,Z.Y.ZHANG
Literature Reference Citation MAGN.RES.CHEM.,38,210(2000)
Literature Reference DOI 10.1002/(sici)1097-458x(200003)38:3<210::aid-mrc616>3.3.co;2-j
Molecular Weight 452.331 g/mol
Solvent CDCl3
Source File Reference UWBS1384