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2-[(5Z)-2,4-diketo-5-[3-(phenoxy)benzylidene]thiazolidin-3-yl]acetic acid
SpectraBase Compound ID 8Paa1YEGXz1
InChI InChI=1S/C18H13NO5S/c20-16(21)11-19-17(22)15(25-18(19)23)10-12-5-4-8-14(9-12)24-13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)/b15-10-
InChIKey MFVUTOCLDIJSST-GDNBJRDFSA-N
Mol Weight 355.36 g/mol
Molecular Formula C18H13NO5S
Exact Mass 355.051444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ChZRUvEhfd0
Name 2-[(5Z)-2,4-diketo-5-[3-(phenoxy)benzylidene]thiazolidin-3-yl]acetic acid
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13NO5S
InChI InChI=1S/C18H13NO5S/c20-16(21)11-19-17(22)15(25-18(19)23)10-12-5-4-8-14(9-12)24-13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)/b15-10-
InChIKey MFVUTOCLDIJSST-GDNBJRDFSA-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 355.365 g/mol
Solvent DMSO-D6
Source File Reference UWLU31036