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(S)-1-(3,5-Bis-(trifluoromethyl)phenyl)-3-(1-cyclohexylethyl)thiourea
SpectraBase Compound ID 1h6nesIxvix
InChI InChI=1S/C17H20F6N2S/c1-10(11-5-3-2-4-6-11)24-15(26)25-14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-11H,2-6H2,1H3,(H2,24,25,26)/t10-/m0/s1
InChIKey OZLFRUGGSKUMHM-JTQLQIEISA-N
Mol Weight 398.41 g/mol
Molecular Formula C17H20F6N2S
Exact Mass 398.125139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wwuQFyGNgM
Name (S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-(1-CYCLOHEXYLETHYL)-THIOUREA
Compound Number 9G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H20F6N2S
InChI InChI=1S/C17H20F6N2S/c1-10(11-5-3-2-4-6-11)24-15(26)25-14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-11H,2-6H2,1H3,(H2,24,25,26)/t10-/m0/s1
InChIKey OZLFRUGGSKUMHM-JTQLQIEISA-N
Literature Reference Author S.BRAESE,N.VOLZ,F.GLAESER,M.NIEGER
Literature Reference Citation BEIL.J.ORG.CHEM.,8,1385(2012)
Literature Reference DOI 10.3762/bjoc.8.160
Molecular Weight 398.410 g/mol
Solvent CDCl3
Source File Reference UWIR11062