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4-acetyl-3,5-dimethylpyrrole-2-carboxylic acid, ethyl ester

View entire compound with spectra: 10 NMR, 1 FTIR, and 1 MS (GC)

4-acetyl-3,5-dimethylpyrrole-2-carboxylic acid, ethyl ester
SpectraBase Compound ID 5G3QL0zsJwn
InChI InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3
InChIKey ALRDOFWBPAZOCW-UHFFFAOYSA-N
Mol Weight 209.24 g/mol
Molecular Formula C11H15NO3
Exact Mass 209.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gvP22geCe
Name 4-Acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
CAS Registry Number 2386-26-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO3
InChI InChI=1S/C11H15NO3/c1-5-15-11(14)10-6(2)9(8(4)13)7(3)12-10/h12H,5H2,1-4H3
InChIKey ALRDOFWBPAZOCW-UHFFFAOYSA-N
Molecular Weight 209.245 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)C(=O)C)C
SPLASH splash10-03dm-2920000000-834b44f41f00178c5edf
Synonyms Ethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Ethyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1449048