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1-METHYL-3-(4,4,4-TRIFLUORO-3-OXO-1-BUTENYL)-THIOUREA;E-ISOMER
SpectraBase Compound ID DTrBBuSXuPw
InChI InChI=1S/C6H7F3N2OS/c1-10-5(13)11-3-2-4(12)6(7,8)9/h2-3H,1H3,(H2,10,11,13)/b3-2+
InChIKey RVASDJQFTVROHM-NSCUHMNNSA-N
Mol Weight 212.19 g/mol
Molecular Formula C6H7F3N2OS
Exact Mass 212.023119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1uoDn2FisGP
Name 1-METHYL-3-(4,4,4-TRIFLUORO-3-OXO-1-BUTENYL)-THIOUREA;E-ISOMER
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7F3N2OS
InChI InChI=1S/C6H7F3N2OS/c1-10-5(13)11-3-2-4(12)6(7,8)9/h2-3H,1H3,(H2,10,11,13)/b3-2+
InChIKey RVASDJQFTVROHM-NSCUHMNNSA-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 212.190 g/mol
Solvent DMSO-D6
Source File Reference UWSI24702