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6-(3-fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID BZjy0XVUCSk
InChI InChI=1S/C19H14FN7S/c1-11-6-8-15(9-7-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)13-4-3-5-14(20)10-13/h3-10H,1-2H3
InChIKey OAGBPTRCTQGGRE-UHFFFAOYSA-N
Mol Weight 391.43 g/mol
Molecular Formula C19H14FN7S
Exact Mass 391.101543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Is9I8T0qQo
Name 6-(3-fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H14FN7S
InChI InChI=1S/C19H14FN7S/c1-11-6-8-15(9-7-11)26-12(2)16(21-25-26)17-22-23-19-27(17)24-18(28-19)13-4-3-5-14(20)10-13/h3-10H,1-2H3
InChIKey OAGBPTRCTQGGRE-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 391.425 g/mol
Solvent CDCl3
Source File Reference UWBS1386