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5'-[3-(4-METHYL-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',3',4']-OXADIAZOLE-2'-THIOL
SpectraBase Compound ID 5HWDStGkMIq
InChI InChI=1S/C14H14N4O4S2/c1-8-2-4-9(5-3-8)13(19)12-10(6-15-17-12)24(20,21)7-11-16-18-14(23)22-11/h2-5,10,15H,6-7H2,1H3,(H,18,23)
InChIKey HUMPVAGMKDSTGO-UHFFFAOYSA-N
Mol Weight 366.41 g/mol
Molecular Formula C14H14N4O4S2
Exact Mass 366.045647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOe0LbYUYAZ
Name 5'-[3-(4-METHYL-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',3',4']-OXADIAZOLE-2'-THIOL
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N4O4S2
InChI InChI=1S/C14H14N4O4S2/c1-8-2-4-9(5-3-8)13(19)12-10(6-15-17-12)24(20,21)7-11-16-18-14(23)22-11/h2-5,10,15H,6-7H2,1H3,(H,18,23)
InChIKey HUMPVAGMKDSTGO-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 366.410 g/mol
Sample ID 1791
Solvent DMSO-D6