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

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4-(1,2-dimethylpyrrol-3-yl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID Cf2wr5HWEpM
InChI InChI=1S/C10H15N3O2S/c1-4-15-10(14)12-9(16)11-8-5-6-13(3)7(8)2/h5-6H,4H2,1-3H3,(H2,11,12,14,16)
InChIKey QWVVZZSUOLBAGN-UHFFFAOYSA-N
Mol Weight 241.31 g/mol
Molecular Formula C10H15N3O2S
Exact Mass 241.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DFTtT5GUXE9
Name 1,2-Dimethyl-3-(3-ethoxycarbonyl-thioureido)-pyrrole
CAS Registry Number 72082-31-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H15N3O2S
InChI InChI=1S/C10H15N3O2S/c1-4-15-10(14)12-9(16)11-8-5-6-13(3)7(8)2/h5-6H,4H2,1-3H3,(H2,11,12,14,16)
InChIKey QWVVZZSUOLBAGN-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