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1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-([1,3,4]-THIADIAZOL-2-YLSULFANYL)-ETHANONE
SpectraBase Compound ID 6BzfznQzBoH
InChI InChI=1S/C17H14F3N3O2S2/c1-10-7-14(15(24)8-26-16-22-21-9-27-16)11(2)23(10)12-3-5-13(6-4-12)25-17(18,19)20/h3-7,9H,8H2,1-2H3
InChIKey JIFAMIGOTUDMEY-UHFFFAOYSA-N
Mol Weight 413.43 g/mol
Molecular Formula C17H14F3N3O2S2
Exact Mass 413.047954 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXp0VKRL82q
Name 1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-([1,3,4]-THIADIAZOL-2-YLSULFANYL)-ETHANONE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14F3N3O2S2
InChI InChI=1S/C17H14F3N3O2S2/c1-10-7-14(15(24)8-26-16-22-21-9-27-16)11(2)23(10)12-3-5-13(6-4-12)25-17(18,19)20/h3-7,9H,8H2,1-2H3
InChIKey JIFAMIGOTUDMEY-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 UWLU70134