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2-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-ISOQUINOLINE-1,3(2H,4H)-DIONE;LASSBIO-1443
SpectraBase Compound ID HnP6BMlwe5b
InChI InChI=1S/C19H18N2O4S2/c22-18-13-14-3-1-2-4-17(14)19(23)21(18)15-5-7-16(8-6-15)27(24,25)20-9-11-26-12-10-20/h1-8H,9-13H2
InChIKey MQAYVIGQCKCJMU-UHFFFAOYSA-N
Mol Weight 402.48 g/mol
Molecular Formula C19H18N2O4S2
Exact Mass 402.070799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ZVzKBCvFhM
Name 2-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-ISOQUINOLINE-1,3(2H,4H)-DIONE;LASSBIO-1443
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18N2O4S2
InChI InChI=1S/C19H18N2O4S2/c22-18-13-14-3-1-2-4-17(14)19(23)21(18)15-5-7-16(8-6-15)27(24,25)20-9-11-26-12-10-20/h1-8H,9-13H2
InChIKey MQAYVIGQCKCJMU-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 402.483 g/mol
Sample ID 960
Solvent DMSO-D6