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(S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[1-(3-BROMOPHENYL)-ETHYL]-THIOUREA

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(S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[1-(3-BROMOPHENYL)-ETHYL]-THIOUREA
SpectraBase Compound ID CNtFATzNjVp
InChI InChI=1S/C17H13BrF6N2S/c1-9(10-3-2-4-13(18)5-10)25-15(27)26-14-7-11(16(19,20)21)6-12(8-14)17(22,23)24/h2-9H,1H3,(H2,25,26,27)/t9-/m0/s1
InChIKey AYTKUWAXUBYQNV-VIFPVBQESA-N
Mol Weight 471.26 g/mol
Molecular Formula C17H13BrF6N2S
Exact Mass 469.988702 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G8zLgBN2hk
Name (S)-1-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-3-[1-(3-BROMOPHENYL)-ETHYL]-THIOUREA
Compound Number 9L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13BrF6N2S
InChI InChI=1S/C17H13BrF6N2S/c1-9(10-3-2-4-13(18)5-10)25-15(27)26-14-7-11(16(19,20)21)6-12(8-14)17(22,23)24/h2-9H,1H3,(H2,25,26,27)/t9-/m0/s1
InChIKey AYTKUWAXUBYQNV-VIFPVBQESA-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
Solvent CDCl3
Source File Reference UWIR11069