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1-METHYL-3-(4,4,4-TRIFLUORO-2-METHYL-3-OXO-1-BUTENYL)-THIOUREA
SpectraBase Compound ID JkAsPPfGG8w
InChI InChI=1S/C7H9F3N2OS/c1-4(3-12-6(14)11-2)5(13)7(8,9)10/h3H,1-2H3,(H2,11,12,14)/b4-3+
InChIKey LXSRTRJRIUWWBX-ONEGZZNKSA-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 1rUPO6D8IPu
Name 1-METHYL-3-(4,4,4-TRIFLUORO-2-METHYL-3-OXO-1-BUTENYL)-THIOUREA
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9F3N2OS
InChI InChI=1S/C7H9F3N2OS/c1-4(3-12-6(14)11-2)5(13)7(8,9)10/h3H,1-2H3,(H2,11,12,14)/b4-3+
InChIKey LXSRTRJRIUWWBX-ONEGZZNKSA-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 UWSI24704