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6-(2-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 8tX2hfMgkm
InChI InChI=1S/C19H14BrN7S/c1-11-7-9-13(10-8-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)14-5-3-4-6-15(14)20/h3-10H,1-2H3
InChIKey IBENGIFGAPNNOX-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 JG8st2e8yqx
Name 6-(2-bromophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14BrN7S
InChI InChI=1S/C19H14BrN7S/c1-11-7-9-13(10-8-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)14-5-3-4-6-15(14)20/h3-10H,1-2H3
InChIKey IBENGIFGAPNNOX-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 UWBS1389