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2-[2-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXY)-PHENYL]-1H-PYRROL-3-YL]-2-OXOETHYL]-1,1-DIOXO-1,2-DIHYDRO-1-LAMBDA(6)-BENZO-[D]-ISOTHIAZOL-3-ONE

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2-[2-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXY)-PHENYL]-1H-PYRROL-3-YL]-2-OXOETHYL]-1,1-DIOXO-1,2-DIHYDRO-1-LAMBDA(6)-BENZO-[D]-ISOTHIAZOL-3-ONE
SpectraBase Compound ID GJKsgohsjBX
InChI InChI=1S/C22H17F3N2O5S/c1-13-11-18(14(2)27(13)15-7-9-16(10-8-15)32-22(23,24)25)19(28)12-26-21(29)17-5-3-4-6-20(17)33(26,30)31/h3-11H,12H2,1-2H3
InChIKey NVTJFQSBMCEMGS-UHFFFAOYSA-N
Mol Weight 478.44 g/mol
Molecular Formula C22H17F3N2O5S
Exact Mass 478.081027 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYadyNXuXAJ
Name 2-[2-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXY)-PHENYL]-1H-PYRROL-3-YL]-2-OXOETHYL]-1,1-DIOXO-1,2-DIHYDRO-1-LAMBDA(6)-BENZO-[D]-ISOTHIAZOL-3-ONE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17F3N2O5S
InChI InChI=1S/C22H17F3N2O5S/c1-13-11-18(14(2)27(13)15-7-9-16(10-8-15)32-22(23,24)25)19(28)12-26-21(29)17-5-3-4-6-20(17)33(26,30)31/h3-11H,12H2,1-2H3
InChIKey NVTJFQSBMCEMGS-UHFFFAOYSA-N
Literature Reference Author M.V.VOVK,O.M.PINCHUK,A.O.TOLMACHOV,A.A.GAKH
Literature Reference Citation MOLECULES,15,997(2010)
Literature Reference DOI 10.3390/molecules15020997
Solvent DMSO-D6
Source File Reference UWLU70129