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

SpectraBase Compound ID	LdRoMskatc4
InChI	InChI=1S/C13H18N4O4S2/c1-4-20-12(18)15-10(22)9-8(6-7-17(9)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	NSPPKQCHKKRWNE-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	FQ4jjTv1Ie7
Name	4-{2-[CARBOXY(THIOCARBAMOYL)]-1-METHYLPYRROL-3-YL}-3-THIOALLOPHANIC ACID, DIETHYL ESTER
Source of Sample	L. Grehn, University of Uppsala, Uppsala, Sweden
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H18N4O4S2
InChI	InChI=1S/C13H18N4O4S2/c1-4-20-12(18)15-10(22)9-8(6-7-17(9)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	NSPPKQCHKKRWNE-UHFFFAOYSA-N
Molecular Weight	358.431000
Synonyms	ALLOPHANIC ACID, 4-/2-/CARBOXY- /THIOCARBAMOYL//-1-METHYLPYRROL-3-YL/- 3-THIO-, DIETHYL ESTER
Technique	KBr WAFER