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4-(4-FLUOROPHENYL)-2-METHYL-1,2,4-THIADIAZOLIDINE-3,5-DIONE

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4-(4-FLUOROPHENYL)-2-METHYL-1,2,4-THIADIAZOLIDINE-3,5-DIONE
SpectraBase Compound ID 5PIqLEtEnIB
InChI InChI=1S/2C9H7FN2O2S/c2*1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2*2-5H,1H3
InChIKey HLPLLDDIXOFKLU-UHFFFAOYSA-N
Mol Weight 452.45 g/mol
Molecular Formula C18H14F2N4O4S2
Exact Mass 452.042454 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 629LbCC8jQd
Name 4-(4-FLUOROPHENYL)-2-METHYL-1,2,4-THIADIAZOLIDINE-3,5-DIONE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14F2N4O4S2
InChI InChI=1S/2C9H7FN2O2S/c2*1-11-8(13)12(9(14)15-11)7-4-2-6(10)3-5-7/h2*2-5H,1H3
InChIKey HLPLLDDIXOFKLU-UHFFFAOYSA-N
Literature Reference Author A.MARTINEZ,M.ALONSO,A.CASTRO,C.PEREZ,F.J.MORENO
Literature Reference Citation J.MED.CHEM.,45,1292(2002)
Literature Reference DOI 10.1021/jm011020u
Molecular Weight 452.450 g/mol
Sample ID 64255
Solvent CDCl3