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(5-METHYLISOXAZOL-3-YLOXY)-ACETIC-ACID-2-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-OXO-ETHYLESTER
SpectraBase Compound ID 2638Ji1uLRC
InChI InChI=1S/C21H19F3N2O6/c1-12-8-17(18(27)10-30-20(28)11-29-19-9-13(2)32-25-19)14(3)26(12)15-4-6-16(7-5-15)31-21(22,23)24/h4-9H,10-11H2,1-3H3
InChIKey INRIXIFOSXXTKE-UHFFFAOYSA-N
Mol Weight 452.39 g/mol
Molecular Formula C21H19F3N2O6
Exact Mass 452.119521 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLIfCPDvNYO
Name (5-METHYLISOXAZOL-3-YLOXY)-ACETIC-ACID-2-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-OXO-ETHYLESTER
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19F3N2O6
InChI InChI=1S/C21H19F3N2O6/c1-12-8-17(18(27)10-30-20(28)11-29-19-9-13(2)32-25-19)14(3)26(12)15-4-6-16(7-5-15)31-21(22,23)24/h4-9H,10-11H2,1-3H3
InChIKey INRIXIFOSXXTKE-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 UWLU70132