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4'-AMINO-5'-(3-BENZOYL-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL)-[1',2',4']-TRIAZOLE-3'-THIOL
SpectraBase Compound ID HHEiDuHMJQX
InChI InChI=1S/C13H14N6O3S2/c14-19-10(16-18-13(19)23)7-24(21,22)9-6-15-17-11(9)12(20)8-4-2-1-3-5-8/h1-5,9,15H,6-7,14H2,(H,18,23)
InChIKey JVURYUYYLCBKGV-UHFFFAOYSA-N
Mol Weight 366.41 g/mol
Molecular Formula C13H14N6O3S2
Exact Mass 366.056881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UvOE2qihxt
Name 4'-AMINO-5'-(3-BENZOYL-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL)-[1',2',4']-TRIAZOLE-3'-THIOL
Compound Number 1 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N6O3S2
InChI InChI=1S/C13H14N6O3S2/c14-19-10(16-18-13(19)23)7-24(21,22)9-6-15-17-11(9)12(20)8-4-2-1-3-5-8/h1-5,9,15H,6-7,14H2,(H,18,23)
InChIKey JVURYUYYLCBKGV-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 366.413 g/mol
Sample ID 1793
Solvent DMSO-D6