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6-(2-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 5NZGh4isldF
InChI InChI=1S/C20H17N7OS/c1-12-8-10-14(11-9-12)26-13(2)17(21-25-26)18-22-23-20-27(18)24-19(29-20)15-6-4-5-7-16(15)28-3/h4-11H,1-3H3
InChIKey ZLRGASLJSSAZGB-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C20H17N7OS
Exact Mass 403.121529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RPJmZ5Bl4A
Name 6-(2-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound Number 6F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17N7OS
InChI InChI=1S/C20H17N7OS/c1-12-8-10-14(11-9-12)26-13(2)17(21-25-26)18-22-23-20-27(18)24-19(29-20)15-6-4-5-7-16(15)28-3/h4-11H,1-3H3
InChIKey ZLRGASLJSSAZGB-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 403.461 g/mol
Solvent CDCl3
Source File Reference UWBS1388