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3-[(5Z)-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL-METHYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]-PROPANOIC-ACID
SpectraBase Compound ID 6H5qwQnICM
InChI InChI=1S/C15H13NO5S2/c17-13(18)3-4-16-14(19)12(23-15(16)22)8-9-1-2-10-11(7-9)21-6-5-20-10/h1-2,7-8H,3-6H2,(H,17,18)/b12-8-
InChIKey KENOTTKNYNCVED-WQLSENKSSA-N
Mol Weight 351.39 g/mol
Molecular Formula C15H13NO5S2
Exact Mass 351.023515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLmmFnuXKuC
Name 3-[(5Z)-5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL-METHYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]-PROPANOIC-ACID
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13NO5S2
InChI InChI=1S/C15H13NO5S2/c17-13(18)3-4-16-14(19)12(23-15(16)22)8-9-1-2-10-11(7-9)21-6-5-20-10/h1-2,7-8H,3-6H2,(H,17,18)/b12-8-
InChIKey KENOTTKNYNCVED-WQLSENKSSA-N
Literature Reference Author W.K.COULIBALY,L.PAQUIN,A.BENIE,Y.A.BEKRO,E.DURIEUX,L.MEIJER, R.LEGUEVEL,A.CORLU,J
Literature Reference Citation SCI.PHARM.,80,825(2012)
Literature Reference DOI 10.3797/scipharm.1206-04
Molecular Weight 351.392 g/mol
Sample ID 73522
Solvent DMSO-D6