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2,5-dimethylpyrrole-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 7THjPgODymy
InChI InChI=1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
InChIKey NOCOMGOGAJYTPH-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pIN1rETAyG
Name 2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
InChIKey NOCOMGOGAJYTPH-UHFFFAOYSA-N
Molecular Weight 167.208 g/mol
SMILES [nH]1c(cc(c1C)C(=O)OCC)C
SPLASH splash10-00kr-0900000000-5a923d3589dd23aa9bdd
Source of Spectrum F-55-6563-22
Synonyms Ethyl 2,5-dimethylpyrrole-3-carboxylate ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
Wiley ID 838051