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(S)-N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-N'-[2'-(S-METHYL-S-PHENYL-SULFONIMIDOYL)-PHENYL]-THIOUREA
SpectraBase Compound ID 1eIqCxz9GUR
InChI InChI=1S/C22H17F6N3OS2/c1-34(32,17-7-3-2-4-8-17)31-19-10-6-5-9-18(19)30-20(33)29-16-12-14(21(23,24)25)11-15(13-16)22(26,27)28/h2-13H,1H3,(H2,29,30,33)
InChIKey LTZUVYRACRUHTA-UHFFFAOYSA-N
Mol Weight 517.51 g/mol
Molecular Formula C22H17F6N3OS2
Exact Mass 517.071724 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bZ9cc5BIad
Name (S)-N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-N'-[2'-(S-METHYL-S-PHENYL-SULFONIMIDOYL)-PHENYL]-THIOUREA
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17F6N3OS2
InChI InChI=1S/C22H17F6N3OS2/c1-34(32,17-7-3-2-4-8-17)31-19-10-6-5-9-18(19)30-20(33)29-16-12-14(21(23,24)25)11-15(13-16)22(26,27)28/h2-13H,1H3,(H2,29,30,33)
InChIKey LTZUVYRACRUHTA-UHFFFAOYSA-N
Literature Reference Author M.FRINGS,I.THOME,C.BOLM
Literature Reference Citation BEIL.J.ORG.CHEM.,8,1443(2012)
Literature Reference DOI 10.3762/bjoc.8.164
Solvent CDCl3
Source File Reference UWIR11305