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6-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-5H-PYRROLO-[3,4-B]-PYRIDINE-5,7(6H)-DIONE;LASSBIO-1459
SpectraBase Compound ID Dj4XZMFIWF7
InChI InChI=1S/C17H15N3O4S2/c21-16-14-2-1-7-18-15(14)17(22)20(16)12-3-5-13(6-4-12)26(23,24)19-8-10-25-11-9-19/h1-7H,8-11H2
InChIKey HQGVDFREOHLFPO-UHFFFAOYSA-N
Mol Weight 389.44 g/mol
Molecular Formula C17H15N3O4S2
Exact Mass 389.050398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXfYOnmaBEa
Name 6-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-5H-PYRROLO-[3,4-B]-PYRIDINE-5,7(6H)-DIONE;LASSBIO-1459
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H15N3O4S2
InChI InChI=1S/C17H15N3O4S2/c21-16-14-2-1-7-18-15(14)17(22)20(16)12-3-5-13(6-4-12)26(23,24)19-8-10-25-11-9-19/h1-7H,8-11H2
InChIKey HQGVDFREOHLFPO-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 389.444 g/mol
Sample ID 961
Solvent CDCl3