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5-Chlorouracil

Compound with spectra: 9 NMR, 4 FTIR, 3 Raman, 1 UV-Vis, and 1 MS (GC)

5-Chlorouracil
SpectraBase Compound ID 7RhZ61alqHS
InChI InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey ZFTBZKVVGZNMJR-UHFFFAOYSA-N
Mol Weight 146.53 g/mol
Molecular Formula C4H3ClN2O2
Exact Mass 145.988305 g/mol

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

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3

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

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13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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

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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 224588
Solvent DMSO-d6

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Raman Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories
Catalog Number 224588

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Raman Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd., India
Source of Spectrum Bio-Rad Laboratories
Catalog Number 103292

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Raman Spectrum
Copyright Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 224588

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FTIR Spectrum
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 103292
Technique KBr1

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ATR-IR Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Company Llc.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 224588

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ATR-IR Spectrum
Copyright Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Spectrochem Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number 103292

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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 224588

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UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-2-472-6

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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 224588
Solvent DMSO-d6
  • 5-Chloro-2,4-dihydroxypyrimidine
  • 5-Chloro-4-hydroxy-2(1H)-pyrimidinone
  • ZFTBZKVVGZNMJR-UHFFFAOYSA-N
  • 5-CHLORURACIL
  • 2,4(1H,3H)-Pyrimidinedione, 5-chloro-
5-CHLOROURACILE
2,4(1H,3H)-Pyrimidinedione, 5-methyl-, dimer
5-Bromouracil
6-Chloro-2,4-dihydroxy-pyrimidine cation
6-Chloro-2,4(1H,3H)-pyrimidinedione
Urea, (2-chloro-3-oxo-1-pentenyl)-
barbituric acid, sodium derivative
3-Methyluracil
5-(Bromomethylene)hydantoin
(5Z)-5-(hydroxymethylene)hydantoin
Title Journal or Book Year
Nature of substituent effects in nuclear magnetic resonance spectroscopy. 2. Factor analysis of carbon-13 chemical shifts in unsaturated and aromatic halides The Journal of Organic Chemistry 1981
Carbon-13 nuclear magnetic resonance of 5-substituted uracils Journal of the American Chemical Society 1973
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