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4-Methyl-4H-1,2,4-triazole
SpectraBase Compound ID 26AQAa4HpP3
InChI InChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3
InChIKey XILPCSMEKCBYFO-UHFFFAOYSA-N
Mol Weight 83.09 g/mol
Molecular Formula C3H5N3
Exact Mass 83.048347 g/mol
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent DMSO-D6
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Solvent Dioxane
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Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent DMSO-D6
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Solvent Dioxane
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Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent DMSO-D6
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Solvent Dioxane
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Solvent DMSO-D6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent CDCl3
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Solvent DMSO-D6
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Solvent Dioxane
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Solvent DMSO-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
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Solvent H2SO4
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Solvent DMSO
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Solvent DMSO;CR(ACAC)3
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Solvent DMSO;CR(ACAC)3=0.015M
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Solvent DMSO
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Solvent CH3OH
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Solvent DMSO
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Solvent DMSO
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Solvent TFA
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Solvent CDCl3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-6-1143-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum JZ-1992-233-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O7-0-57-0
  • 1-METHYL-1,3,4-TRIAZOLE
  • XILPCSMEKCBYFO-UHFFFAOYSA-N
  • 4-METHYL-1,2,4-TRIAZOLE
  • 4H-1,2,4-Triazole, 4-methyl-
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
Substituent effects on the15N NMR Parameters of Azoles Magnetic Resonance in Chemistry 1997
Experimental (13C and15N NMR spectroscopy) and theoretical (6-31G) study of the protonation ofN-methylazoles andN-methylbenzazoles Magnetic Resonance in Chemistry 1993
15N NMR investigation of the tautomeric equilibria of some 1,2,4-triazoles and related compounds Magnetic Resonance in Chemistry 1986
A15N NMR study of some azoles Organic Magnetic Resonance 1984
Nitrogen-15 NMR spectroscopy: prototropic tautomerism of azoles The Journal of Organic Chemistry 1982

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