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2-[2,4-diketo-5-(3-methoxybenzylidene)thiazolidin-3-yl]acetic acid
SpectraBase Compound ID FjkC9Nzzq5H
InChI InChI=1S/C13H11NO5S/c1-19-9-4-2-3-8(5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
InChIKey MYISOQXSDQHERI-POHAHGRESA-N
Mol Weight 293.29 g/mol
Molecular Formula C13H11NO5S
Exact Mass 293.035794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gd1Exv62Qmp
Name 2-[2,4-diketo-5-(3-methoxybenzylidene)thiazolidin-3-yl]acetic acid
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11NO5S
InChI InChI=1S/C13H11NO5S/c1-19-9-4-2-3-8(5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6-
InChIKey MYISOQXSDQHERI-POHAHGRESA-N
Literature Reference Author G.BRUNO,L.COSTANTINO,C.CURINGA,R.MACCARI,F.MONFORTE,F.NICOLO ,R.OTTANA,M.G.VIGORI
Literature Reference Citation BIOORG.MED.CHEM.,10,1077(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00366-2
Molecular Weight 293.294 g/mol
Solvent DMSO-D6
Source File Reference UWLU31037