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 Google Search
Mol Weight	358.43 g/mol
Molecular Formula	C13H18N4O4S2
Exact Mass	358.076947 g/mol

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SpectraBase Spectrum ID	LkNsO8PBOZy
Name	1-Methyl-5-(3-ethoxycarbonyl-thioureido)-pyrrole-2-(N-ethoxycarbonyl-thiocarboxamide)
CAS Registry Number	72083-39-7
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C13H18N4O4S2
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
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