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1-benzyl-2-[3,5-bis(trifluoromethyl)benzamido]-4,5-dimethylpyrrole-3-carboxylic acid, ethyl ester

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1-benzyl-2-[3,5-bis(trifluoromethyl)benzamido]-4,5-dimethylpyrrole-3-carboxylic acid, ethyl ester
SpectraBase Compound ID JcTgmi5nEad
InChI InChI=1S/C25H22F6N2O3/c1-4-36-23(35)20-14(2)15(3)33(13-16-8-6-5-7-9-16)21(20)32-22(34)17-10-18(24(26,27)28)12-19(11-17)25(29,30)31/h5-12H,4,13H2,1-3H3,(H,32,34)
InChIKey KQBURBCIDAEBMS-UHFFFAOYSA-N
Mol Weight 512.45 g/mol
Molecular Formula C25H22F6N2O3
Exact Mass 512.153462 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KFlv7Uz5Z50
Name 1-benzyl-2-[3,5-bis(trifluoromethyl)benzamido]-4,5-dimethylpyrrole-3-carboxylic acid, ethyl ester
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22F6N2O3
InChI InChI=1S/C25H22F6N2O3/c1-4-36-23(35)20-14(2)15(3)33(13-16-8-6-5-7-9-16)21(20)32-22(34)17-10-18(24(26,27)28)12-19(11-17)25(29,30)31/h5-12H,4,13H2,1-3H3,(H,32,34)
InChIKey KQBURBCIDAEBMS-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 58703M
Solvent CDCl3