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3-Carboxy-1,4-dimethyl-2-pyrroleacetic acid

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ApXGPsRNs0x
Name 3-Carboxy-1,4-dimethyl-2-pyrroleacetic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 316253
CAS Registry Number 33369-45-8
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO4
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
Observed nucleus 1H
Purity 95%
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-(carboxymethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Wiley ID SIAL_1HNMR_006224