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(S)-N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-N'-[METHYL-(OXIDO)-PHENYL-LAMBDA(4)-SULFANYLIDENE]-THIOUREA
SpectraBase Compound ID CXhsl4YVpZI
InChI InChI=1S/C16H12F6N2OS2/c1-27(25,13-5-3-2-4-6-13)24-14(26)23-12-8-10(15(17,18)19)7-11(9-12)16(20,21)22/h2-9H,1H3,(H,23,26)
InChIKey IIBTVKUIEDAING-UHFFFAOYSA-N
Mol Weight 426.4 g/mol
Molecular Formula C16H12F6N2OS2
Exact Mass 426.029524 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaQJS95pP1p
Name (S)-N-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYL]-N'-[METHYL-(OXIDO)-PHENYL-LAMBDA(4)-SULFANYLIDENE]-THIOUREA
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12F6N2OS2
InChI InChI=1S/C16H12F6N2OS2/c1-27(25,13-5-3-2-4-6-13)24-14(26)23-12-8-10(15(17,18)19)7-11(9-12)16(20,21)22/h2-9H,1H3,(H,23,26)
InChIKey IIBTVKUIEDAING-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 UWIR11304