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2-METHYL-4-(4-TRIFLUOROMETHYLPHENYL)-1,2,4-THIADIAZOLIDINE-3,5-DIONE
SpectraBase Compound ID jeen4FGiBu
InChI InChI=1S/C10H7F3N2O2S/c1-14-8(16)15(9(17)18-14)7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3
InChIKey CPHFCAJQZIPYIU-UHFFFAOYSA-N
Mol Weight 276.23 g/mol
Molecular Formula C10H7F3N2O2S
Exact Mass 276.018033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43m5m6f8uIr
Name 2-METHYL-4-(4-TRIFLUOROMETHYLPHENYL)-1,2,4-THIADIAZOLIDINE-3,5-DIONE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7F3N2O2S
InChI InChI=1S/C10H7F3N2O2S/c1-14-8(16)15(9(17)18-14)7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3
InChIKey CPHFCAJQZIPYIU-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 276.233 g/mol
Sample ID 64256
Solvent CDCl3