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

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

5-(3-carboxy-2-thioureido)-1-methylpyrrole-2-carboxylic acid, diethyl ester
SpectraBase Compound ID 4o1BPWtJHnc
InChI InChI=1S/C12H17N3O4S/c1-4-18-10(16)8-6-7-9(15(8)3)13-11(20)14-12(17)19-5-2/h6-7H,4-5H2,1-3H3,(H2,13,14,17,20)
InChIKey MNQTZUIGFOHFSU-UHFFFAOYSA-N
Mol Weight 299.35 g/mol
Molecular Formula C12H17N3O4S
Exact Mass 299.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ArBdMkf9uo
Name 1-Methyl-2-ethoxycarbonyl-5-(3-ethoxycarbonyl-thioureido)-pyrrole
CAS Registry Number 72083-38-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H17N3O4S
InChI InChI=1S/C12H17N3O4S/c1-4-18-10(16)8-6-7-9(15(8)3)13-11(20)14-12(17)19-5-2/h6-7H,4-5H2,1-3H3,(H2,13,14,17,20)
InChIKey MNQTZUIGFOHFSU-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