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2,4,6(1H,3H,5H)-pyrimidinetrione

Compound with spectra: 25 NMR, 8 FTIR, 2 Raman, and 12 MS (GC)

2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID JjHgsMEZmMQ
InChI InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey HNYOPLTXPVRDBG-UHFFFAOYSA-N
Mol Weight 128.09 g/mol
Molecular Formula C4H4N2O3
Exact Mass 128.022192 g/mol

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MS (GC) Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences

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MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NP-0-6830-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum HE-1982-0-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum PG-1982-582-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SRH-2022-9734-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-25363-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-27-204-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SWG-33-1559-0

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ATR-IR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number 185698

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ATR-IR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number B208

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1H NMR Spectrum
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Solvent DMSO-d6; Reference=TMS; Temperature 297K

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1H NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

1H NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol-d

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1H NMR Spectrum
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6

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1H NMR Spectrum
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

1H NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number B208
Solvent DMSO-d6

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FTIR Spectrum
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique KBr-Pellet

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FTIR Spectrum
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Source of Sample Merck-Schuchardt Hohenbrunn
Technique KBr-Pellet

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FTIR Spectrum
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Technique KBr-Pellet

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Kay-Fries, Inc.
Technique KBr WAFER

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FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample The Matheson Company, Inc., East Rutherford, New Jersey
Technique KBr WAFER

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FTIR Spectrum
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number B208
Technique Mull

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13C NMR Spectrum
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Kay-Fries Chemicals, Inc., New York, New York
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DS

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

13C NMR Spectrum
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number B208
Solvent DMSO-d6

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6

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Raman Spectrum
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Inc.
Source of Spectrum Forensic Spectral Research
Catalog Number 185698

View Spectrum of 2,4,6(1H,3H,5H)-pyrimidinetrione

Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 185698
  • Barbituric acid
  • HNYOPLTXPVRDBG-UHFFFAOYSA-N
  • BARBITURIC-ACID;KETO-FORM
  • UREA, MALONYL-,
  • URACIL, 6-HYDROXY-,
  • PYRIMIDINETRIOL, 2,4,6-,
  • URACIL, 6-OXO-,
  • PYRIMIDINETRIONE, 2,4,6/1H,3H,5H/-,
  • 2,4,6-TRIOXOHEXAHYDROPYRIMIDINE
  • 2,4,6-PYRIMIDINETRIOL
  • 2,4,6-Pyrimidinetrione
  • Pyrimidine-2,4,6-trione
  • Malonylurea
  • 2,4,6-Trihydroxypyrimidine
5,6-Dihydrouracil
Hydantoin
Butanamide, N-(aminocarbonyl)-
Cyanoacetylurea
Pentanamide, N-(aminocarbonyl)-
Parabanic acid
Butanamide, N-(aminocarbonyl)-3-methyl-
n-Propyldicarbonimidic diamide
N-Isobutyrylurea
N,N'-bis(2-hydroxyethyl)propanediamide
Title Journal or Book Year
Molecular dynamics of hydantoins and barbiturates assessed by1H,13C and15N relaxation data J. Chem. Soc., Perkin Trans. 2 1995
Substituent and solvent effects on tautomeric equilibria of barbituric acid derivatives and isoterically related compounds Journal of Heterocyclic Chemistry 1987
Mechanism of H/D Exchange in 5-(p-Nitrobenzyl)barbituric Acid HETEROCYCLES 1986

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley

The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.

KnowItAll Mass Spectral Library
Author: Wiley

The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.

Wiley Registry of Mass Spectral Data 2023
Author: Wiley

The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.

BARBITURIC-ACID;ENOL-FORM
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