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3-(1-Carboxymethyl-5-p-tolyl-1H-pyrrol-2-yl)-propionic acid
SpectraBase Compound ID 5ydhRuKhzJ0
InChI InChI=1S/C16H17NO4/c1-11-2-4-12(5-3-11)14-8-6-13(7-9-15(18)19)17(14)10-16(20)21/h2-6,8H,7,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKey PCXIOEHMINECRC-UHFFFAOYSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6IAGiRAT9K
Name 3-(1-Carboxymethyl-5-p-tolyl-1H-pyrrol-2-yl)-propionic acid
Alternate Name(s) 3-[1-(carboxymethyl)-5-(4-methylphenyl)-1H-pyrrol-2-yl]propanoic acid 3-[1-(carboxymethyl)-5-(4-methylphenyl)-2-pyrrolyl]propanoic acid 3-[1-(carboxymethyl)-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid 3-[1-(carboxymethyl)-5-(p-tolyl)pyrrol-2-yl]propanoic acid 3-[1-(carboxymethyl)-5-(p-tolyl)pyrrol-2-yl]propionic acid
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Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-11-2-4-12(5-3-11)14-8-6-13(7-9-15(18)19)17(14)10-16(20)21/h2-6,8H,7,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKey PCXIOEHMINECRC-UHFFFAOYSA-N
Molecular Weight 287.315 g/mol
SMILES OC(CCc1ccc([n]1CC(=O)O)-c1ccc(cc1)C)=O
SPLASH splash10-004i-6970000000-4e9654596912b00aa3d6
Wiley ID 1443951