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3-Acetyl-4,5-dimethylpyrrole-2-carboxylic acid
SpectraBase Compound ID EBxaPCIyOtb
InChI InChI=1S/C9H11NO3/c1-4-5(2)10-8(9(12)13)7(4)6(3)11/h10H,1-3H3,(H,12,13)
InChIKey PPSGKMWFWAXDHT-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcaKCXXNPU3
Name 3-Acetyl-4,5-dimethylpyrrole-2-carboxylic acid
CAS Registry Number 2386-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-4-5(2)10-8(9(12)13)7(4)6(3)11/h10H,1-3H3,(H,12,13)
InChIKey PPSGKMWFWAXDHT-UHFFFAOYSA-N
Molecular Weight 181.191 g/mol
SMILES [nH]1c(c(c(c1C(=O)O)C(=O)C)C)C
SPLASH splash10-000t-3900000000-fda1267da876d102a27a
Source of Spectrum AD-0-2532-0
Synonyms 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid 3-Ethanoyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Pyrrole-2-carboxylic acid, 3-acetyl-4,5-dimethyl-
Wiley ID 1430133