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5'-(3-BENZOYL-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL)-[1',3',4']-OXADIAZOLE-2'-THIOL
SpectraBase Compound ID 34vW0fftjJU
InChI InChI=1S/C13H12N4O4S2/c18-12(8-4-2-1-3-5-8)11-9(6-14-16-11)23(19,20)7-10-15-17-13(22)21-10/h1-5,9,14H,6-7H2,(H,17,22)
InChIKey ABMXYSUNVHJVQD-UHFFFAOYSA-N
Mol Weight 352.38 g/mol
Molecular Formula C13H12N4O4S2
Exact Mass 352.029997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYc1NWUviEL
Name 5'-(3-BENZOYL-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL)-[1',3',4']-OXADIAZOLE-2'-THIOL
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N4O4S2
InChI InChI=1S/C13H12N4O4S2/c18-12(8-4-2-1-3-5-8)11-9(6-14-16-11)23(19,20)7-10-15-17-13(22)21-10/h1-5,9,14H,6-7H2,(H,17,22)
InChIKey ABMXYSUNVHJVQD-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 352.383 g/mol
Sample ID 1790
Solvent DMSO-D6