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4'-AMINO-5'-[3-(4-METHYL-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',2',4']-TRIAZOLE-3'-THIOL
SpectraBase Compound ID 5OSqqlHNwGJ
InChI InChI=1S/C14H16N6O3S2/c1-8-2-4-9(5-3-8)13(21)12-10(6-16-18-12)25(22,23)7-11-17-19-14(24)20(11)15/h2-5,10,16H,6-7,15H2,1H3,(H,19,24)
InChIKey FSOJJGFTVBQMJX-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C14H16N6O3S2
Exact Mass 380.072531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24CaryE3kcA
Name 4'-AMINO-5'-[3-(4-METHYL-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',2',4']-TRIAZOLE-3'-THIOL
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N6O3S2
InChI InChI=1S/C14H16N6O3S2/c1-8-2-4-9(5-3-8)13(21)12-10(6-16-18-12)25(22,23)7-11-17-19-14(24)20(11)15/h2-5,10,16H,6-7,15H2,1H3,(H,19,24)
InChIKey FSOJJGFTVBQMJX-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,A.V.N.MOHAN,K.MAHESH,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,56,815(2008)
Literature Reference DOI 10.1248/cpb.56.815
Molecular Weight 380.439 g/mol
Sample ID 1794
Solvent DMSO-D6