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4-(1-methyl-4-nitropyrrol-2-yl)-3-thioallophanic acid, ethyl ester

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 UV-Vis

4-(1-methyl-4-nitropyrrol-2-yl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID ARf36u09Gaw
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-7-4-6(13(15)16)5-12(7)2/h4-5H,3H2,1-2H3,(H2,10,11,14,18)
InChIKey BQKABMCVWCSTJU-UHFFFAOYSA-N
Mol Weight 272.28 g/mol
Molecular Formula C9H12N4O4S
Exact Mass 272.057926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfH291C9r5T
Name 1-Methyl-2-(3-ethoxycarbonyl-thioureido)-4-nitro-pyrrole
CAS Registry Number 72083-40-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12N4O4S
InChI InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-7-4-6(13(15)16)5-12(7)2/h4-5H,3H2,1-2H3,(H2,10,11,14,18)
InChIKey BQKABMCVWCSTJU-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