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2-(4-HEXAHYDRO-1-PYRAZINYLSULFONYLPHENYL)-1,3-ISOINDOLINEDIONE
SpectraBase Compound ID H1F9WaqifUG
InChI InChI=1S/C18H17N3O4S/c22-17-15-3-1-2-4-16(15)18(23)21(17)13-5-7-14(8-6-13)26(24,25)20-11-9-19-10-12-20/h1-8,19H,9-12H2
InChIKey GRBGMYHLGSAENM-UHFFFAOYSA-N
Mol Weight 371.41 g/mol
Molecular Formula C18H17N3O4S
Exact Mass 371.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cKbXd9ATcJ
Name 2-(4-HEXAHYDRO-1-PYRAZINYLSULFONYLPHENYL)-1,3-ISOINDOLINEDIONE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O4S
InChI InChI=1S/C18H17N3O4S/c22-17-15-3-1-2-4-16(15)18(23)21(17)13-5-7-14(8-6-13)26(24,25)20-11-9-19-10-12-20/h1-8,19H,9-12H2
InChIKey GRBGMYHLGSAENM-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 371.411 g/mol
Solvent DMSO-D6
Source File Reference UWSI24280