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3-[5-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid
SpectraBase Compound ID HjbU6H9H1Ow
InChI InChI=1S/C21H18F3NO3/c1-28-16-10-6-14(7-11-16)18-12-8-15(9-13-20(26)27)25(18)19-5-3-2-4-17(19)21(22,23)24/h2-8,10-12H,9,13H2,1H3,(H,26,27)
InChIKey RUDNIOFFLPQNQV-UHFFFAOYSA-N
Mol Weight 389.37 g/mol
Molecular Formula C21H18F3NO3
Exact Mass 389.123878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12tnCBAlW6d
Name 3-[5-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3NO3
InChI InChI=1S/C21H18F3NO3/c1-28-16-10-6-14(7-11-16)18-12-8-15(9-13-20(26)27)25(18)19-5-3-2-4-17(19)21(22,23)24/h2-8,10-12H,9,13H2,1H3,(H,26,27)
InChIKey RUDNIOFFLPQNQV-UHFFFAOYSA-N
Molecular Weight 389.374 g/mol
SMILES OC(CCc1[n](-c2c(C(F)(F)F)cccc2)c(cc1)-c1ccc(cc1)OC)=O
SPLASH splash10-001i-1449000000-d0a02e39408e22238ec9
Synonyms 3-[5-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid 3-[5-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]propionic acid 3-{5-(4-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Wiley ID 1443170