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3-METHYLISOXAZOLE-5-CARBOXYLIC-ACID-2-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-OXO-ETHYLESTER
SpectraBase Compound ID 4fkq2WPEDbp
InChI InChI=1S/C20H17F3N2O5/c1-11-8-16(18(26)10-28-19(27)17-9-12(2)30-24-17)13(3)25(11)14-4-6-15(7-5-14)29-20(21,22)23/h4-9H,10H2,1-3H3
InChIKey OWFUZDWWXKBZBK-UHFFFAOYSA-N
Mol Weight 422.36 g/mol
Molecular Formula C20H17F3N2O5
Exact Mass 422.108956 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMI0Db21ut3
Name 3-METHYLISOXAZOLE-5-CARBOXYLIC-ACID-2-[2,5-DIMETHYL-1-(4-TRIFLUOROMETHOXYPHENYL)-1H-PYRROL-3-YL]-2-OXO-ETHYLESTER
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17F3N2O5
InChI InChI=1S/C20H17F3N2O5/c1-11-8-16(18(26)10-28-19(27)17-9-12(2)30-24-17)13(3)25(11)14-4-6-15(7-5-14)29-20(21,22)23/h4-9H,10H2,1-3H3
InChIKey OWFUZDWWXKBZBK-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 UWLU70131