John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DqGrY3XqIkG

(accessed ).
Pyrimidine
SpectraBase Compound ID DqGrY3XqIkG
InChI InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
InChIKey CZPWVGJYEJSRLH-UHFFFAOYSA-N
Mol Weight 80.09 g/mol
Molecular Formula C4H4N2
Exact Mass 80.037448 g/mol
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
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Solvent NT
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent DMSO-D6
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent not reported
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Solvent DMSO
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent DMSO-D6
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent not reported
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Solvent DMSO
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent DMSO-D6
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent not reported
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Solvent DMSO
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent DMSO-D6
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent not reported
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Solvent DMSO
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent DMSO-D6
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent not reported
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Solvent DMSO
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent DMSO-D6
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent DMSO
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent not reported
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Solvent DMSO
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Solvent Acetone-D6
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Solvent Benzene
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Solvent D2O
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Solvent DMSO-D6
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent Acetone-D6
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Solvent Benzene
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Solvent H2O
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Solvent CCl4
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Solvent CCl4
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Solvent CCl4
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Solvent not reported
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Solvent DMSO
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE
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Solvent ACETONE
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Solvent DMSO
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Solvent DMSO-D6
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Solvent DMSO
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Solvent CDCl3
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Solvent DMSO-D6
Copyright Copyright © 2021 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 131695
Solvent CDCl3
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Solvent CDCl3
Copyright Copyright © 2021 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 131695
Solvent CDCl3
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Solvent DMSO
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Solvent TFA
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Solvent FSO3H
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Solvent DMSO-D6
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Solvent DMSO;CR(ACAC)3=0.02M
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Solvent NEAT
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Solvent H2O
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Solvent CH3OH
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Solvent DMSO
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent CDCl3
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Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Copyright Copyright © 2015-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number P0662
Copyright Copyright © 2017-2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2021 John Wiley & Sons, Inc. All Rights Reserved.
Catalog Number 131695
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Technique CAPILLARY CELL: 0.015 MM
Copyright Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number P0662
Technique Neat
Copyright Copyright © 2015-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample TCI Chemicals India Pvt. Ltd.
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number P0662
Copyright Copyright © 2018-2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 131695
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 2018-2021 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 131695
Copyright Copyright © 2021 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 131695
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum AD-0-4400-0
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NP-0-491-0
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-19252-0
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Va-0-0-0
  • 1,3-Diazine
  • PYRIMIDINE;1,3-DIAZINE
  • CZPWVGJYEJSRLH-UHFFFAOYSA-N
  • PYRIMIDIN
  • METADIAZINE
  • MIAZINE
Title Journal or Book Year
On the accuracy of the GIAO-DFT calculation of15N NMR chemical shifts of the nitrogen-containing heterocycles - a gateway to better agreement with experiment at lower computational cost Magnetic Resonance in Chemistry 2014
NMR spectra of nitrogen-containing compounds. Correlations between experimental and GIAO calculated data Magnetic Resonance in Chemistry 1999
15N NMR spectroscopy of some azines Organic Magnetic Resonance 1984
Some INDO/SSOS calculations of the effects of hydrogen bonding on the nitrogen shielding of some heterocycles Organic Magnetic Resonance 1983
15N chemical shifts of a number of polyazaindenes: Correlation with charge separated resonance contributing structures Organic Magnetic Resonance 1982
Backdonation and Interrelationships between 15N, 13C Chemical Shifts and Infrared Absorption Frequencies in Heterocyclic N-Oxides HETEROCYCLES 1982
15N-NMR. Studies of Aminopyridines, Aminopyrimidines and of Some Diazine N-Oxides Helvetica Chimica Acta 1980
Carbon-13 NMR spectra of some 4- and 5-substituted pyrimidines Organic Magnetic Resonance 1979
Carbon-13 nuclear magnetic resonance spectra of N-, O-, and S-methylated uracil and thiouracil derivatives Canadian Journal of Chemistry 1978
13C n.m.r. spectra of 2-substituted pyrimidines Organic Magnetic Resonance 1976
Etude par rmn du carbone-13 des effets de substituants dans le noyau de la pyrimidine Tetrahedron Letters 1974
Unknown Identification

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