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5-BROM-1,2-DIMETHYL-3-(3-ETHOXYCARBONYLTHIOUREIDO)-PYRROL

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5-BROM-1,2-DIMETHYL-3-(3-ETHOXYCARBONYLTHIOUREIDO)-PYRROL
SpectraBase Compound ID DhnMYhfizZH
InChI InChI=1S/C10H14BrN3O2S/c1-4-16-10(15)13-9(17)12-7-5-8(11)14(3)6(7)2/h5H,4H2,1-3H3,(H2,12,13,15,17)
InChIKey MEMUJJOVUBUKGB-UHFFFAOYSA-N
Mol Weight 320.21 g/mol
Molecular Formula C10H14BrN3O2S
Exact Mass 318.999011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pLcmdo2LxX
Name 1,2-Dimethyl-5-bromo-3-(3-ethoxycarbonyl-thioureido)-pyrrole
CAS Registry Number 72082-32-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H14BrN3O2S
InChI InChI=1S/C10H14BrN3O2S/c1-4-16-10(15)13-9(17)12-7-5-8(11)14(3)6(7)2/h5H,4H2,1-3H3,(H2,12,13,15,17)
InChIKey MEMUJJOVUBUKGB-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