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4-(1-methylpyrrol-3-yl)-3-thioallophanic acid, ethyl ester

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4-(1-methylpyrrol-3-yl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID DNDDbJu83q6
InChI InChI=1S/C9H13N3O2S/c1-3-14-9(13)11-8(15)10-7-4-5-12(2)6-7/h4-6H,3H2,1-2H3,(H2,10,11,13,15)
InChIKey NSZWPWUGCYWFET-UHFFFAOYSA-N
Mol Weight 227.28 g/mol
Molecular Formula C9H13N3O2S
Exact Mass 227.072848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtkUBAdn8x0
Name 1-Methyl-3-(3-ethoxycarbonyl-thioureido)-pyrrole
CAS Registry Number 72082-29-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H13N3O2S
InChI InChI=1S/C9H13N3O2S/c1-3-14-9(13)11-8(15)10-7-4-5-12(2)6-7/h4-6H,3H2,1-2H3,(H2,10,11,13,15)
InChIKey NSZWPWUGCYWFET-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