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2-[(4'-PHENYL-1'H-PYRAZOL-3'-YLSULFONYL)-METHYL]-5-PARA-TOLYL-1,3,4-THIADIAZOLE
SpectraBase Compound ID IBd2JlGjSOi
InChI InChI=1S/C19H16N4O2S2/c1-13-7-9-15(10-8-13)18-22-21-17(26-18)12-27(24,25)19-16(11-20-23-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,23)
InChIKey JTVZMWWWKIKQRA-UHFFFAOYSA-N
Mol Weight 396.48 g/mol
Molecular Formula C19H16N4O2S2
Exact Mass 396.071468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xHRrHqqIp5
Name 2-[(4'-PHENYL-1'H-PYRAZOL-3'-YLSULFONYL)-METHYL]-5-PARA-TOLYL-1,3,4-THIADIAZOLE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16N4O2S2
InChI InChI=1S/C19H16N4O2S2/c1-13-7-9-15(10-8-13)18-22-21-17(26-18)12-27(24,25)19-16(11-20-23-19)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,23)
InChIKey JTVZMWWWKIKQRA-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,S.N.REDDY,K.MAHESH
Literature Reference Citation CHEM.PHARM.BULL.,57,1376(2009)
Literature Reference DOI 10.1248/cpb.57.1376
Molecular Weight 396.482 g/mol
Sample ID 3196
Solvent DMSO-D6