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2-[4-(4-PHENYLHEXAHYDRO-1-PYRAZINYLSULFONYL)-PHENYL]-1,3-ISOINDOLINEDIONE
SpectraBase Compound ID DDdj2lwu9mv
InChI InChI=1S/C24H21N3O4S/c28-23-21-8-4-5-9-22(21)24(29)27(23)19-10-12-20(13-11-19)32(30,31)26-16-14-25(15-17-26)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKey KTXKZCCZSRAHIW-UHFFFAOYSA-N
Mol Weight 447.51 g/mol
Molecular Formula C24H21N3O4S
Exact Mass 447.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1imuGoBRIDE
Name 2-[4-(4-PHENYLHEXAHYDRO-1-PYRAZINYLSULFONYL)-PHENYL]-1,3-ISOINDOLINEDIONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H21N3O4S
InChI InChI=1S/C24H21N3O4S/c28-23-21-8-4-5-9-22(21)24(29)27(23)19-10-12-20(13-11-19)32(30,31)26-16-14-25(15-17-26)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKey KTXKZCCZSRAHIW-UHFFFAOYSA-N
Literature Reference Author L.M.LIMA,P.CASTRO,A.L.MACHADO,C.A.M.FRAGA,C.LUGNIER,V.L.G.D. MORAES,E.J.BARREIRO
Literature Reference Citation BIOORG.MED.CHEM.,10,3067(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00152-9
Molecular Weight 447.508 g/mol
Solvent CDCl3
Source File Reference UWSI24282