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2-[5-(4-fluorobenzylidene)-2,4-diketo-thiazolidin-3-yl]acetic acid
SpectraBase Compound ID 7hBNYrh10B0
InChI InChI=1S/C12H8FNO4S/c13-8-3-1-7(2-4-8)5-9-11(17)14(6-10(15)16)12(18)19-9/h1-5H,6H2,(H,15,16)/b9-5-
InChIKey GKZSXWLBIDINFJ-UITAMQMPSA-N
Mol Weight 281.26 g/mol
Molecular Formula C12H8FNO4S
Exact Mass 281.015807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlLqDRX1CP5
Name 2-[5-(4-fluorobenzylidene)-2,4-diketo-thiazolidin-3-yl]acetic acid
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H8FNO4S
InChI InChI=1S/C12H8FNO4S/c13-8-3-1-7(2-4-8)5-9-11(17)14(6-10(15)16)12(18)19-9/h1-5H,6H2,(H,15,16)/b9-5-
InChIKey GKZSXWLBIDINFJ-UITAMQMPSA-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 281.258 g/mol
Solvent DMSO-D6
Source File Reference UWLU31039