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3-[(5Z)-5-(1,3-BENZODIOXOL-5-YL-METHYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]-PROPANOIC-ACID
SpectraBase Compound ID 6REqXxo6rHk
InChI InChI=1S/C14H11NO5S2/c16-12(17)3-4-15-13(18)11(22-14(15)21)6-8-1-2-9-10(5-8)20-7-19-9/h1-2,5-6H,3-4,7H2,(H,16,17)/b11-6-
InChIKey GCQMLHMGQXHCDM-WDZFZDKYSA-N
Mol Weight 337.36 g/mol
Molecular Formula C14H11NO5S2
Exact Mass 337.007865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaXcuej3xpZ
Name 3-[(5Z)-5-(1,3-BENZODIOXOL-5-YL-METHYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]-PROPANOIC-ACID
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11NO5S2
InChI InChI=1S/C14H11NO5S2/c16-12(17)3-4-15-13(18)11(22-14(15)21)6-8-1-2-9-10(5-8)20-7-19-9/h1-2,5-6H,3-4,7H2,(H,16,17)/b11-6-
InChIKey GCQMLHMGQXHCDM-WDZFZDKYSA-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 337.365 g/mol
Sample ID 73521
Solvent DMSO-D6