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4-NITRO-2-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-ISOINDOLINE-1,3-DIONE;LASSBIO-1437
SpectraBase Compound ID IE19nylrGxl
InChI InChI=1S/C18H15N3O6S2/c22-17-14-2-1-3-15(21(24)25)16(14)18(23)20(17)12-4-6-13(7-5-12)29(26,27)19-8-10-28-11-9-19/h1-7H,8-11H2
InChIKey LEHLNEWOUHXVBO-UHFFFAOYSA-N
Mol Weight 433.45 g/mol
Molecular Formula C18H15N3O6S2
Exact Mass 433.040228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RdO19YxHO5
Name 4-NITRO-2-[4-(THIOMORPHOLINO-SULFONYL)-PHENYL]-ISOINDOLINE-1,3-DIONE;LASSBIO-1437
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15N3O6S2
InChI InChI=1S/C18H15N3O6S2/c22-17-14-2-1-3-15(21(24)25)16(14)18(23)20(17)12-4-6-13(7-5-12)29(26,27)19-8-10-28-11-9-19/h1-7H,8-11H2
InChIKey LEHLNEWOUHXVBO-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 433.454 g/mol
Sample ID 957
Solvent DMSO-D6