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Pyrrole
SpectraBase Compound ID 8WPiEX4NU0k
InChI InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKey KAESVJOAVNADME-UHFFFAOYSA-N
Mol Weight 67.09 g/mol
Molecular Formula C4H5N
Exact Mass 67.042199 g/mol
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Technique NEAT
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Technique CAPILLARY CELL: 0.015 MM
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Technique Cell
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Source of Sample Ega
Technique Layer between KBr
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Technique NEAT
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Technique CAPILLARY CELL: 0.015 MM
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Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number W338605
Technique Between salts
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Catalog Number 131709
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Catalog Number 131709
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Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum AA-0-50-1
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Source of Spectrum DC-0-22-1
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Source of Spectrum XW-352-0-0
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Source of Spectrum EP-3466-0-0
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Source of Spectrum F9-1990-925-0
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Source of Spectrum MG-864-0-0
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Source of Spectrum W6-1989-34529-31007
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Source of Spectrum JZ-1992-62-0
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Source of Spectrum Va-0-0-0
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Source of Spectrum AA-0-50-3
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Source of Spectrum X-10-325-0
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Source of Spectrum O7-0-177-0
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Source of Spectrum T-67-160-0
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Source of Sample Eastman Organic Chemicals, Rochester, New York
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian HA-100/Digilab FT-NMR-3
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Solvent CDCl3
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent THF
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Solvent ACETONE-D6
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Solvent CDCl3
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Solvent Unknown
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Solvent CDCl3
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Solvent CDCl3
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Solvent Unknown
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Solvent CDCl3
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Catalog Number 131709
Solvent CDCl3
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Solvent CCl4
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Catalog Number 131709
Solvent CDCl3
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Solvent CDCl3;CR(ACAC)3
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Catalog Number W338605
  • 1-Aza-2,4-cyclopentadiene
  • Azole
  • 1H-Pyrrole
  • Imidole
  • Divinylenimine
  • PYRROL
  • DIVINYLENEIMINE
  • MONOPYRROLE
Title Journal or Book Year
NMR Study of the Steric and Electronic Structure of 2-(2-Acylethenyl)pyrroles Russian Journal of Organic Chemistry 2003
10.1023/A:1022570303420 Russian Journal of Organic Chemistry 2002
NMR spectra of nitrogen-containing compounds. Correlations between experimental and GIAO calculated data Magnetic Resonance in Chemistry 1999
Substituent effects on the15N NMR Parameters of Azoles Magnetic Resonance in Chemistry 1997
Determination of corticoids using pyrrole. V Studies on the colored products. Chemical and Pharmaceutical Bulletin 1987
Nitrogen-15 NMR spectroscopy: prototropic tautomerism of azoles The Journal of Organic Chemistry 1982
Chemistry of the phenoxathiins and isosterically related heterocycles. XIV. Total assignment of the13C-Nmr spectrum of pyrrolo[3,2,1-kl]phenothiazine Journal of Heterocyclic Chemistry 1981
Etudes d'Hétérocycles Pentagonaux Polyhétéroatomiques par RMN du13C. Effets de Substituant, de la Benzocondensation et Etude de la Tautomèrie Prototropique en Série Benzothiazolique Organic Magnetic Resonance 1978
Nitrogen-15 nuclear magnetic resonance studies of porphyrins Journal of the American Chemical Society 1977
Carbon-13 magnetic resonance studies of azoles. Tautomerism, shift reagent effects, and solvent effects The Journal of Organic Chemistry 1974
Carbon-13 nuclear magnetic resonance spectra of some substituted pyrroles Journal of the Chemical Society, Perkin Transactions 2 1974
Nuclear magnetic resonance spectroscopy. Carbon-13 spectra of five-membered aromatic heterocycles Journal of the American Chemical Society 1968

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