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3-[5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid
SpectraBase Compound ID 1SIa56WbILg
InChI InChI=1S/C21H18F3NO2/c1-14-6-8-15(9-7-14)18-12-10-16(11-13-20(26)27)25(18)19-5-3-2-4-17(19)21(22,23)24/h2-10,12H,11,13H2,1H3,(H,26,27)
InChIKey HLKFFDZBUBMBKO-UHFFFAOYSA-N
Mol Weight 373.38 g/mol
Molecular Formula C21H18F3NO2
Exact Mass 373.128963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHLS7mjI9dO
Name 3-[5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3NO2
InChI InChI=1S/C21H18F3NO2/c1-14-6-8-15(9-7-14)18-12-10-16(11-13-20(26)27)25(18)19-5-3-2-4-17(19)21(22,23)24/h2-10,12H,11,13H2,1H3,(H,26,27)
InChIKey HLKFFDZBUBMBKO-UHFFFAOYSA-N
Molecular Weight 373.375 g/mol
SMILES OC(CCc1[n](-c2c(C(F)(F)F)cccc2)c(cc1)-c1ccc(cc1)C)=O
SPLASH splash10-03di-2948000000-beac198e0f840f0e3966
Synonyms 3-[5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid 3-[5-(p-tolyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid 3-[5-(p-tolyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]propionic acid 3-{5-(4-methylphenyl)-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Wiley ID 1443176