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PAAWKFNGNYETET-UITAMQMPSA-N
SpectraBase Compound ID 805Pm3QFj1M
InChI InChI=1S/C13H8F3NO4S/c14-13(15,16)8-3-1-2-7(4-8)5-9-11(20)17(6-10(18)19)12(21)22-9/h1-5H,6H2,(H,18,19)/b9-5-
InChIKey PAAWKFNGNYETET-UITAMQMPSA-N
Mol Weight 331.27 g/mol
Molecular Formula C13H8F3NO4S
Exact Mass 331.012613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14TzK5eEb9r
Name PAAWKFNGNYETET-UITAMQMPSA-N
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8F3NO4S
InChI InChI=1S/C13H8F3NO4S/c14-13(15,16)8-3-1-2-7(4-8)5-9-11(20)17(6-10(18)19)12(21)22-9/h1-5H,6H2,(H,18,19)/b9-5-
InChIKey PAAWKFNGNYETET-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 331.266 g/mol
Solvent DMSO-D6
Source File Reference UWLU31038