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5-AMINO-2-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-ISOINDOLINE-1,3-DIONE;LASSBIO-1441
SpectraBase Compound ID 3XIB5BEScDQ
InChI InChI=1S/C18H17N3O4S2/c19-12-1-6-15-16(11-12)18(23)21(17(15)22)13-2-4-14(5-3-13)27(24,25)20-7-9-26-10-8-20/h1-6,11H,7-10,19H2
InChIKey USLGCCJKKVVYRA-UHFFFAOYSA-N
Mol Weight 403.47 g/mol
Molecular Formula C18H17N3O4S2
Exact Mass 403.066048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6rSpDy1799
Name 5-AMINO-2-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-ISOINDOLINE-1,3-DIONE;LASSBIO-1441
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3O4S2
InChI InChI=1S/C18H17N3O4S2/c19-12-1-6-15-16(11-12)18(23)21(17(15)22)13-2-4-14(5-3-13)27(24,25)20-7-9-26-10-8-20/h1-6,11H,7-10,19H2
InChIKey USLGCCJKKVVYRA-UHFFFAOYSA-N
Literature Reference Author M.L.D.C.BARBOSA,T.J.F.RAMOS,A.C.S.D.ARANTES,M.A.MARTINS,P.M. R.E.SILVA
Literature Reference Citation MOLECULES,17,14651(2012)
Literature Reference DOI 10.3390/molecules171214651
Molecular Weight 403.471 g/mol
Sample ID 964
Solvent DMSO-D6