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

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4-{5-[carboxy(thiocarbamoyl)]-1,2-dimethylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester
SpectraBase Compound ID 1iXWvAwoSW7
InChI InChI=1S/C14H20N4O4S2/c1-5-21-13(19)16-11(23)10-7-9(8(3)18(10)4)15-12(24)17-14(20)22-6-2/h7H,5-6H2,1-4H3,(H,16,19,23)(H2,15,17,20,24)
InChIKey IANUUJAFBAJSIJ-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C14H20N4O4S2
Exact Mass 372.092597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnTxrrhs1GF
Name 1,5-Dimethyl-4-(3-ethoxycarbonyl-thioureido)-pyrrole-2-(N-ethoxy-carbonyl-thiocarboamide)
CAS Registry Number 72082-35-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H20N4O4S2
InChI InChI=1S/C14H20N4O4S2/c1-5-21-13(19)16-11(23)10-7-9(8(3)18(10)4)15-12(24)17-14(20)22-6-2/h7H,5-6H2,1-4H3,(H,16,19,23)(H2,15,17,20,24)
InChIKey IANUUJAFBAJSIJ-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