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[4-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-THIAZOL-2-YL]-(TETRAHYDROFURAN-2-YLMETHYL)-AMINE

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[4-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-THIAZOL-2-YL]-(TETRAHYDROFURAN-2-YLMETHYL)-AMINE
SpectraBase Compound ID HdNobtSMzpj
InChI InChI=1S/C21H22F3N3O2S/c1-13-10-18(19-12-30-20(26-19)25-11-17-4-3-9-28-17)14(2)27(13)15-5-7-16(8-6-15)29-21(22,23)24/h5-8,10,12,17H,3-4,9,11H2,1-2H3,(H,25,26)
InChIKey GSGYJXTZRBVFPL-UHFFFAOYSA-N
Mol Weight 437.48 g/mol
Molecular Formula C21H22F3N3O2S
Exact Mass 437.138483 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4kUed3TqRh
Name [4-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-THIAZOL-2-YL]-(TETRAHYDROFURAN-2-YLMETHYL)-AMINE
Compound Number 9G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22F3N3O2S
InChI InChI=1S/C21H22F3N3O2S/c1-13-10-18(19-12-30-20(26-19)25-11-17-4-3-9-28-17)14(2)27(13)15-5-7-16(8-6-15)29-21(22,23)24/h5-8,10,12,17H,3-4,9,11H2,1-2H3,(H,25,26)
InChIKey GSGYJXTZRBVFPL-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 UWLU70143