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5'-[3-(4-CHLORO-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',3',4']-THIADIAZOLE-2'-THIOL
SpectraBase Compound ID HxONLidd7MO
InChI InChI=1S/C13H11ClN4O3S3/c14-8-3-1-7(2-4-8)12(19)11-9(5-15-17-11)24(20,21)6-10-16-18-13(22)23-10/h1-4,9,15H,5-6H2,(H,18,22)
InChIKey IAVQTDMNVCOCTO-UHFFFAOYSA-N
Mol Weight 402.89 g/mol
Molecular Formula C13H11ClN4O3S3
Exact Mass 401.968181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDzr0eNYXV1
Name 5'-[3-(4-CHLORO-BENZOYL)-4,5-DIHYDRO-1H-PYRAZOLE-4-SULFONYL-METHYL]-[1',3',4']-THIADIAZOLE-2'-THIOL
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClN4O3S3
InChI InChI=1S/C13H11ClN4O3S3/c14-8-3-1-7(2-4-8)12(19)11-9(5-15-17-11)24(20,21)6-10-16-18-13(22)23-10/h1-4,9,15H,5-6H2,(H,18,22)
InChIKey IAVQTDMNVCOCTO-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 402.888 g/mol
Sample ID 1789
Solvent DMSO-D6