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4-(3-carboxy-2-thioureido)-1,5-dimethylpyrrole-2-carboxylic acid, diethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

4-(3-carboxy-2-thioureido)-1,5-dimethylpyrrole-2-carboxylic acid, diethyl ester
SpectraBase Compound ID IrXF2SpAKUC
InChI InChI=1S/C13H19N3O4S/c1-5-19-11(17)10-7-9(8(3)16(10)4)14-12(21)15-13(18)20-6-2/h7H,5-6H2,1-4H3,(H2,14,15,18,21)
InChIKey HKZGQIQNLXMIMT-UHFFFAOYSA-N
Mol Weight 313.37 g/mol
Molecular Formula C13H19N3O4S
Exact Mass 313.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeI8ARpRQOI
Name 1,5-Dimethyl-2-ethoxycarbonyl-4-(3-ethoxycarbonyl-thioureido)-pyrrole
CAS Registry Number 72082-34-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H19N3O4S
InChI InChI=1S/C13H19N3O4S/c1-5-19-11(17)10-7-9(8(3)16(10)4)14-12(21)15-13(18)20-6-2/h7H,5-6H2,1-4H3,(H2,14,15,18,21)
InChIKey HKZGQIQNLXMIMT-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference L. Grehn, Chemica Scripta 13, 78 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6