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3-Phenyl-3-(1H-pyrrol-1-yl)propanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Phenyl-3-(1H-pyrrol-1-yl)propanoic acid
SpectraBase Compound ID Jya536XngkX
InChI InChI=1S/C13H13NO2/c15-13(16)10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10H2,(H,15,16)
InChIKey GLJWRQSFZOJOLE-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UzZNHnaCXN
Name 3-Phenyl-3-(1H-pyrrol-1-yl)propanoic acid
Alternate Name(s) 3-Phenyl-3-(1-pyrrolyl)propanoic acid 3-Phenyl-3-pyrrol-1-yl-propanoic acid 3-Phenyl-3-pyrrol-1-yl-propionic acid Propionic acid, 3-phenyl-3-(pyrrol-1-yl)-
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Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c15-13(16)10-12(14-8-4-5-9-14)11-6-2-1-3-7-11/h1-9,12H,10H2,(H,15,16)
InChIKey GLJWRQSFZOJOLE-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES OC(CC([n]1cccc1)c1ccccc1)=O
SPLASH splash10-016r-9300000000-1a46d2426e38d8bae549
Wiley ID 1440405