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3-Carboxy-1,4-dimethyl-2-pyrroleacetic acid
SpectraBase Compound ID CuUTbTcdTzu
InChI InChI=1S/C9H11NO4/c1-5-4-10(2)6(3-7(11)12)8(5)9(13)14/h4H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKey FASPXTNRUAOAGU-UHFFFAOYSA-N
Mol Weight 197.19 g/mol
Molecular Formula C9H11NO4
Exact Mass 197.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvYh73smSqG
Name 1H-Pyrrole-2-acetic acid, 3-carboxy-1,4-dimethyl-
Alternate Name(s) 2-(carboxymethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid 2-(carboxymethyl)-1,4-dimethyl-3-pyrrolecarboxylic acid 2-(carboxymethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid 2-(carboxymethyl)-1,4-dimethylpyrrole-3-carboxylic acid
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Formula C9H11NO4
InChI InChI=1S/C9H11NO4/c1-5-4-10(2)6(3-7(11)12)8(5)9(13)14/h4H,3H2,1-2H3,(H,11,12)(H,13,14)
InChIKey FASPXTNRUAOAGU-UHFFFAOYSA-N
Molecular Weight 197.190 g/mol
SMILES OC(Cc1[n](cc(c1C(=O)O)C)C)=O
SPLASH splash10-0gb9-9400000000-dcd9a4d3aae0427f3fb8
Wiley ID 1472209