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1-Methyl-1,2,4-triazole

Compound with spectra: 30 NMR, 2 FTIR, 1 Raman, and 5 MS (GC)

1-Methyl-1,2,4-triazole
SpectraBase Compound ID Et25NTGZDfm
InChI InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3
InChIKey MWZDIEIXRBWPLG-UHFFFAOYSA-N
Mol Weight 83.09 g/mol
Molecular Formula C3H5N3
Exact Mass 83.048347 g/mol

View Spectrum of 1-Methyl-1,2,4-triazole

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Chloroform-d

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Chloroform-d

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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 Dioxane

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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 CDCl3

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

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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 CDCl3

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13C NMR Spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent not reported

View Spectrum of 1-Methyl-1,2,4-triazole

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

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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 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-D6

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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.
Solvent CF3COOH

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

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

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15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO;CR(ACAC)3

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15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO;CR(ACAC)3=0.03M

View Spectrum of 1-Methyl-1,2,4-triazole

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO;CR(ACAC)3=0.03M

View Spectrum of 1-Methyl-1,2,4-triazole

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

View Spectrum of 1-Methyl-1,2,4-triazole

15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CF3COOH

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

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

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

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

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

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

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15N NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

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Raman Spectrum
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L18337

View Spectrum of 1-Methyl-1,2,4-triazole

FTIR Spectrum
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L18337
Technique Neat

View Spectrum of 1-Methyl-1,2,4-triazole

ATR-IR Spectrum
Copyright Copyright © 2016-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Source of Spectrum Bio-Rad Laboratories, Inc.
Catalog Number L18337

View Spectrum of 1-Methyl-1,2,4-triazole

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum W5-1989-36398-29138

View Spectrum of 1-Methyl-1,2,4-triazole

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-6-1143-4

View Spectrum of 1-Methyl-1,2,4-triazole

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O-7-59-2

View Spectrum of 1-Methyl-1,2,4-triazole

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O7-0-57-0

View Spectrum of 1-Methyl-1,2,4-triazole

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum EP-2205-0-0
  • 1-Methyltriazole
  • 1-Methyl-1H-1,2,4-triazole
  • MWZDIEIXRBWPLG-UHFFFAOYSA-N
  • 2-METHYL-1,2,4-TRIAZOLE
  • 1-METHYL-1,2,4-TRIAZOLE;ISOMER-A
  • 1-METHYL-1,2,4-TRIAZOLE;ISOMER-B
  • 1H-1,2,4-TRIAZOLE, 1-METHYL-
1H-1,2,4-Triazole-5-d, 1-methyl-
1-Methyl-D3-1,2,4-triazole
1-Methyl-3-D-1,2,4-triazole
1-Methyl-1,2,4-triazole-4-15N
1-(Chloromethyl)-1H-1,2,4-triazole monohydrochloride
1-Hydroxymethyl-1H-1,2,4-triazole
1-AMINO-1,2,4-TRIAZOLE
1H-1,2,4-Triazole, 3-bromo-1-methyl-
1-METHYL-3-AMINO-1,2,4-TRIAZOLE
1,2,4-Triazole sodium derivative
1,2,4-TRIAZOLIUM-NITRATE
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
13C-Nmr spectra of anhydro-3-mercapto-5-pyrazinyl-1,2,4-triazolium hydroxides Journal of Heterocyclic Chemistry 1981

This compound is available in the following databases:

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