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1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-(1-METHYL-1H-TETRAZOL-5-YLSULFANYL)-ETHANONE
SpectraBase Compound ID BV6yFpA6W1i
InChI InChI=1S/C17H16F3N5O2S/c1-10-8-14(15(26)9-28-16-21-22-23-24(16)3)11(2)25(10)12-4-6-13(7-5-12)27-17(18,19)20/h4-8H,9H2,1-3H3
InChIKey PJNKRKPLFZFKNA-UHFFFAOYSA-N
Mol Weight 411.4 g/mol
Molecular Formula C17H16F3N5O2S
Exact Mass 411.09768 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gvfsbq1fQzt
Name 1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-(1-METHYL-1H-TETRAZOL-5-YLSULFANYL)-ETHANONE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16F3N5O2S
InChI InChI=1S/C17H16F3N5O2S/c1-10-8-14(15(26)9-28-16-21-22-23-24(16)3)11(2)25(10)12-4-6-13(7-5-12)27-17(18,19)20/h4-8H,9H2,1-3H3
InChIKey PJNKRKPLFZFKNA-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 UWLU70136