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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 Bb4oCpOPX8C
Name 4-(5-BROMO-1,2-DIMETHYLPYRROL-3-YL)-3-THIOALLOPHANIC ACID,ETHYL ESTER
Source of Sample L. Grehn Chem. Scripta 13, 78(1978)
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 320.22
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms ALLOPHANIC ACID, 4-/5-BROMO-1,2-DIMETHYLPYRROL-3-YL/-3-THIO-, ETHYL ESTER