For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-{5-[carboxy(thiocarbamoyl)]-1-methylpyrrol-2-yl}-3-thioallophanic acid, diethyl ester

Compound with spectra: 3 NMR, and 1 FTIR

4-{5-[carboxy(thiocarbamoyl)]-1-methylpyrrol-2-yl}-3-thioallophanic acid, diethyl ester
SpectraBase Compound ID GGsyWy8xEr4
InChI InChI=1S/C13H18N4O4S2/c1-4-20-12(18)15-10(22)8-6-7-9(17(8)3)14-11(23)16-13(19)21-5-2/h6-7H,4-5H2,1-3H3,(H,15,18,22)(H2,14,16,19,23)
InChIKey QVGXGKJUALQYMG-UHFFFAOYSA-N
Mol Weight 358.43 g/mol
Molecular Formula C13H18N4O4S2
Exact Mass 358.076947 g/mol

View Spectrum of 4-{5-[carboxy(thiocarbamoyl)]-1-methylpyrrol-2-yl}-3-thioallophanic acid, diethyl ester

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 4-{5-[carboxy(thiocarbamoyl)]-1-methylpyrrol-2-yl}-3-thioallophanic acid, diethyl ester

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 4-{5-[carboxy(thiocarbamoyl)]-1-methylpyrrol-2-yl}-3-thioallophanic acid, diethyl ester

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol

View Spectrum of 4-{5-[carboxy(thiocarbamoyl)]-1-methylpyrrol-2-yl}-3-thioallophanic acid, diethyl ester

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample L. Grehn, University of Uppsala, Uppsala, Sweden
Technique KBr WAFER
  • 5-(3-ETHOXYCARBONYLTHIOUREIDO)-1-METHYLPYRROL-2-(N-ETHOXYCARBONYL)-THIOCARBOXAMIDE
  • ALLOPHANIC ACID, 4-/5-/CARBOXY- /THIOCARBAMOYL//-1-METHYLPYRROL-2-YL/- 3-THIO-, DIETHYL ESTER
  • 1-Methyl-5-(3-ethoxycarbonyl-thioureido)-pyrrole-2-(N-ethoxycarbonyl-thiocarboxamide)
[(3-amino-1-methyl-4-nitropyrrol-2-yl)thiocarbonyl]carbamic acid, ethyl ester
p-[(1-oxo-4-azaspiro[4.5]decan-4-yl)thiocarboxamido]benzoic acid
1,3,5-Triazine-2(1H)-thione, tetrahydro-5-[(4-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)-
N-(2-bromo-4-methylphenyl)-N'-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]thiourea
1,2,5-oxadiazol-3-amine, 4-[5-[(2,3-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-
butyl 4-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
butyl 4-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
4-chloro-N-(3,4-difluorophenyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
N-[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]-N'-(4-iodo-2-methylphenyl)thiourea
N-[(1-methylindol-2-yl) carbonyl]-beta-alanine, ethyl ester
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.