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3-[1-(2-carbomethoxyphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propionic acid
SpectraBase Compound ID IvR3A562xNR
InChI InChI=1S/C21H18FNO4/c1-27-21(26)17-4-2-3-5-19(17)23-16(11-13-20(24)25)10-12-18(23)14-6-8-15(22)9-7-14/h2-10,12H,11,13H2,1H3,(H,24,25)
InChIKey YWEKSEPTFFZRGP-UHFFFAOYSA-N
Mol Weight 367.38 g/mol
Molecular Formula C21H18FNO4
Exact Mass 367.121986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 951nxGtqA8Y
Name 3-[1-(2-carbomethoxyphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propionic acid
Alternate Name(s) 3-[5-(4-fluorophenyl)-1-(2-methoxycarbonylphenyl)-2-pyrrolyl]propanoic acid 3-[5-(4-fluorophenyl)-1-(2-methoxycarbonylphenyl)pyrrol-2-yl]propanoic acid 3-{5-(4-fluorophenyl)-1-[2-(methoxycarbonyl)phenyl]-1H-pyrrol-2-yl}propanoic acid
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Formula C21H18FNO4
InChI InChI=1S/C21H18FNO4/c1-27-21(26)17-4-2-3-5-19(17)23-16(11-13-20(24)25)10-12-18(23)14-6-8-15(22)9-7-14/h2-10,12H,11,13H2,1H3,(H,24,25)
InChIKey YWEKSEPTFFZRGP-UHFFFAOYSA-N
Molecular Weight 367.376 g/mol
SMILES OC(CCc1[n](-c2c(C(=O)OC)cccc2)c(cc1)-c1ccc(cc1)F)=O
SPLASH splash10-0a4j-3689000000-6c606368900d8ede182a
Wiley ID 1443879