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2-(TRIFLUOROMETHYL)-PHENYL-4-TOLUENESULFONATE

View entire compound with spectra: 2 NMR

2-(TRIFLUOROMETHYL)-PHENYL-4-TOLUENESULFONATE
SpectraBase Compound ID 15SHk47Xo5H
InChI InChI=1S/2C14H11F3O3S/c2*1-10-6-8-11(9-7-10)21(18,19)20-13-5-3-2-4-12(13)14(15,16)17/h2*2-9H,1H3
InChIKey GFVZNSIYELVXSJ-UHFFFAOYSA-N
Mol Weight 632.59 g/mol
Molecular Formula C28H22F6O6S2
Exact Mass 632.0762 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWFOsLP92YI
Name 2-(TRIFLUOROMETHYL)-PHENYL-4-TOLUENESULFONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22F6O6S2
InChI InChI=1S/2C14H11F3O3S/c2*1-10-6-8-11(9-7-10)21(18,19)20-13-5-3-2-4-12(13)14(15,16)17/h2*2-9H,1H3
InChIKey GFVZNSIYELVXSJ-UHFFFAOYSA-N
Literature Reference Author V.NUMMERT,V.MAEEMETS,M.PIIRSALU,I.A.KOPPEL
Literature Reference Citation MAGN.RES.CHEM.,50,696(2012)
Literature Reference DOI 10.1002/mrc.3864
Solvent CH3CN:CD3CN
Source File Reference UWLU82328