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5-Acetyl-4-(3-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID JMMLUYjAIMg
InChI InChI=1S/C13H12N2O3/c1-8(16)12-10(9-4-3-5-14-7-9)6-11(15-12)13(17)18-2/h3-7,15H,1-2H3
InChIKey CIQWEFINHWDDJE-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JejNBTuSP5U
Name 5-Acetyl-4-(3-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
Alternate Name(s) 5-Acetyl-4-(3-pyridyl)-1H-pyrrole-2-carboxylic acid methyl ester Methyl 5-acetyl-4-(3-pyridyl)-1H-pyrrole-2-carboxylate Methyl 5-acetyl-4-pyridin-3-yl-1H-pyrrole-2-carboxylate Methyl 5-ethanoyl-4-pyridin-3-yl-1H-pyrrole-2-carboxylate
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Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c1-8(16)12-10(9-4-3-5-14-7-9)6-11(15-12)13(17)18-2/h3-7,15H,1-2H3
InChIKey CIQWEFINHWDDJE-UHFFFAOYSA-N
Molecular Weight 244.250 g/mol
SMILES [nH]1c(cc(c1C(=O)C)-c1cnccc1)C(=O)OC
SPLASH splash10-0007-2980000000-aac0894446de00a6ca44
Source of Spectrum E1-46-406-13
Wiley ID 1554249