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[4-METHYL-2-(TRIFLUOROMETHYLSULFANYL)-PHENYL]-(META-TOLYL)-S-TRIFLUOROMETHYLSULFONIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 3mMDBihI9GP
InChI InChI=1S/C16H13F6S2.CHF3O3S/c1-10-4-3-5-12(8-10)24(16(20,21)22)14-7-6-11(2)9-13(14)23-15(17,18)19;2-1(3,4)8(5,6)7/h3-9H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey QMTOWLDBTRGJHQ-UHFFFAOYSA-M
Mol Weight 532.45 g/mol
Molecular Formula C17H13F9O3S3
Exact Mass 531.988311 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OC9LpicgHn
Name [4-METHYL-2-(TRIFLUOROMETHYLSULFANYL)-PHENYL]-(META-TOLYL)-S-TRIFLUOROMETHYLSULFONIUM-TRIFLUOROMETHANESULFONATE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13F9O3S3
InChI InChI=1S/C16H13F6S2.CHF3O3S/c1-10-4-3-5-12(8-10)24(16(20,21)22)14-7-6-11(2)9-13(14)23-15(17,18)19;2-1(3,4)8(5,6)7/h3-9H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey QMTOWLDBTRGJHQ-UHFFFAOYSA-M
Literature Reference Author Y.MACE,J.C.BLAZEJEWSKI,C.PRADET,E.MAGNIER
Literature Reference Citation EUR.J.ORG.CHEM.,2010,5772(2010)
Literature Reference DOI 10.1002/ejoc.201001069
Solvent CDCl3
Source File Reference UWLU85922