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1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-[5-[1,2,4]-THIADIAZOL-1-YLMETHYL-[1,3,4]-OXADIAZOL-2-YLSULFANYL]-ETHANONE

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1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-[5-[1,2,4]-THIADIAZOL-1-YLMETHYL-[1,3,4]-OXADIAZOL-2-YLSULFANYL]-ETHANONE
SpectraBase Compound ID mQKhWRGBed
InChI InChI=1S/C20H17F3N6O3S/c1-12-7-16(13(2)29(12)14-3-5-15(6-4-14)32-20(21,22)23)17(30)9-33-19-27-26-18(31-19)8-28-11-24-10-25-28/h3-7,10-11H,8-9H2,1-2H3
InChIKey XQMVRUUMINJMLF-UHFFFAOYSA-N
Mol Weight 478.45 g/mol
Molecular Formula C20H17F3N6O3S
Exact Mass 478.103494 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0zu8BpL8Av
Name 1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-[5-[1,2,4]-THIADIAZOL-1-YLMETHYL-[1,3,4]-OXADIAZOL-2-YLSULFANYL]-ETHANONE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17F3N6O3S
InChI InChI=1S/C20H17F3N6O3S/c1-12-7-16(13(2)29(12)14-3-5-15(6-4-14)32-20(21,22)23)17(30)9-33-19-27-26-18(31-19)8-28-11-24-10-25-28/h3-7,10-11H,8-9H2,1-2H3
InChIKey XQMVRUUMINJMLF-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 UWLU70135