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5'-(3-BENZOYL-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL)-[1',3',4']-THIADIAZOLE-2'-THIOL
SpectraBase Compound ID 6fdPdiw5AXW
InChI InChI=1S/C13H12N4O3S3/c18-12(8-4-2-1-3-5-8)11-9(6-14-16-11)23(19,20)7-10-15-17-13(21)22-10/h1-5,9,14H,6-7H2,(H,17,21)
InChIKey ALDZJLVIGLEDBO-UHFFFAOYSA-N
Mol Weight 368.44 g/mol
Molecular Formula C13H12N4O3S3
Exact Mass 368.007154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tf0GLlyMki
Name 5'-(3-BENZOYL-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL)-[1',3',4']-THIADIAZOLE-2'-THIOL
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N4O3S3
InChI InChI=1S/C13H12N4O3S3/c18-12(8-4-2-1-3-5-8)11-9(6-14-16-11)23(19,20)7-10-15-17-13(21)22-10/h1-5,9,14H,6-7H2,(H,17,21)
InChIKey ALDZJLVIGLEDBO-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 368.443 g/mol
Sample ID 1787
Solvent DMSO-D6