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3-[5-METHYL-1-(4-METHYLPHENYL)-1,2,3-TRIAZOL-4-YL]-4-AMINO-5-MERCAPTO-S-TRIAZOLE
SpectraBase Compound ID 9gazhum1dBp
InChI InChI=1S/C12H13N7S/c1-7-3-5-9(6-4-7)19-8(2)10(14-17-19)11-15-16-12(20)18(11)13/h3-6H,13H2,1-2H3,(H,16,20)
InChIKey IKQVXGAHHNXIBI-UHFFFAOYSA-N
Mol Weight 287.35 g/mol
Molecular Formula C12H13N7S
Exact Mass 287.095315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoXJkEHcXQ5
Name 3-[5-METHYL-1-(4-METHYLPHENYL)-1,2,3-TRIAZOL-4-YL]-4-AMINO-5-MERCAPTO-S-TRIAZOLE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13N7S
InChI InChI=1S/C12H13N7S/c1-7-3-5-9(6-4-7)19-8(2)10(14-17-19)11-15-16-12(20)18(11)13/h3-6H,13H2,1-2H3,(H,16,20)
InChIKey IKQVXGAHHNXIBI-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 287.342 g/mol
Solvent CDCl3
Source File Reference UWBS1382