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4,4'-(1-methylpyrrole-2,5-diyl)bis[3-thioallophanic acid], diethyl ester

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4,4'-(1-methylpyrrole-2,5-diyl)bis[3-thioallophanic acid], diethyl ester
SpectraBase Compound ID 72hQqPEhsnE
InChI InChI=1S/C13H19N5O4S2/c1-4-21-12(19)16-10(23)14-8-6-7-9(18(8)3)15-11(24)17-13(20)22-5-2/h6-7H,4-5H2,1-3H3,(H2,14,16,19,23)(H2,15,17,20,24)
InChIKey DEYRWYNDKQZRBU-UHFFFAOYSA-N
Mol Weight 373.45 g/mol
Molecular Formula C13H19N5O4S2
Exact Mass 373.087846 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lpCtThtWu3
Name 1-Methyl-2,5-bis(3-ethoxycarbonyl-thioureido)-pyrrole
CAS Registry Number 72083-41-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H19N5O4S2
InChI InChI=1S/C13H19N5O4S2/c1-4-21-12(19)16-10(23)14-8-6-7-9(18(8)3)15-11(24)17-13(20)22-5-2/h6-7H,4-5H2,1-3H3,(H2,14,16,19,23)(H2,15,17,20,24)
InChIKey DEYRWYNDKQZRBU-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