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3-[5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid
SpectraBase Compound ID 5jZncmpwp4B
InChI InChI=1S/C20H15ClF3NO2/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(26)27)25(18)17-3-1-2-14(12-17)20(22,23)24/h1-8,10,12H,9,11H2,(H,26,27)
InChIKey VFEPAYQAMPXWKH-UHFFFAOYSA-N
Mol Weight 393.79 g/mol
Molecular Formula C20H15ClF3NO2
Exact Mass 393.074341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0LW4742Bkh
Name 3-[5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolyl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClF3NO2
InChI InChI=1S/C20H15ClF3NO2/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(26)27)25(18)17-3-1-2-14(12-17)20(22,23)24/h1-8,10,12H,9,11H2,(H,26,27)
InChIKey VFEPAYQAMPXWKH-UHFFFAOYSA-N
Molecular Weight 393.793 g/mol
SMILES OC(CCc1[n](c(cc1)-c1ccc(cc1)Cl)-c1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-001i-1649000000-042892745bd6b4afacbe
Synonyms 3-[5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoic acid 3-[5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propionic acid 3-{5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
Wiley ID 1443872