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4-HYDROXY-3,6-DIMETHYL-4-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-2-PYRIMIDINETHIONE
SpectraBase Compound ID 7C8ReUXLyKd
InChI InChI=1S/C7H9F3N2OS/c1-4-3-6(13,7(8,9)10)12(2)5(14)11-4/h3,13H,1-2H3,(H,11,14)
InChIKey FOHUYTHZBITNCW-UHFFFAOYSA-N
Mol Weight 226.22 g/mol
Molecular Formula C7H9F3N2OS
Exact Mass 226.038769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54zU9QifXjf
Name 4-HYDROXY-3,6-DIMETHYL-4-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-2-PYRIMIDINETHIONE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9F3N2OS
InChI InChI=1S/C7H9F3N2OS/c1-4-3-6(13,7(8,9)10)12(2)5(14)11-4/h3,13H,1-2H3,(H,11,14)
InChIKey FOHUYTHZBITNCW-UHFFFAOYSA-N
Literature Reference Author N.ZANATTA,C.D.C.MADRUGA,P.D.C.MARISCO,D.C.FLORES,H.G.BONACOR SO,M.A.P.MARTINS
Literature Reference Citation J.HETCYCL.CHEM.,37,1213(2000)
Literature Reference DOI 10.1002/jhet.5570370531
Molecular Weight 226.216 g/mol
Solvent DMSO-D6
Source File Reference UWSI24709