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1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-[5-(3-METHOXYPHENYL)-TETRAZOL-2-YL]-ETHANONE
SpectraBase Compound ID YnQHkTgDYn
InChI InChI=1S/C23H20F3N5O3/c1-14-11-20(15(2)31(14)17-7-9-18(10-8-17)34-23(24,25)26)21(32)13-30-28-22(27-29-30)16-5-4-6-19(12-16)33-3/h4-12H,13H2,1-3H3
InChIKey HSHFROMLFMMUJM-UHFFFAOYSA-N
Mol Weight 471.44 g/mol
Molecular Formula C23H20F3N5O3
Exact Mass 471.151824 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pOhRXDOGr3
Name 1-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-[5-(3-METHOXYPHENYL)-TETRAZOL-2-YL]-ETHANONE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20F3N5O3
InChI InChI=1S/C23H20F3N5O3/c1-14-11-20(15(2)31(14)17-7-9-18(10-8-17)34-23(24,25)26)21(32)13-30-28-22(27-29-30)16-5-4-6-19(12-16)33-3/h4-12H,13H2,1-3H3
InChIKey HSHFROMLFMMUJM-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 UWLU70130