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1-Methyl-benzotriazole

Compound with spectra: 35 NMR, and 2 MS (GC)

1-Methyl-benzotriazole
SpectraBase Compound ID 3pbi33hdbCJ
InChI InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
InChIKey HXQHRUJXQJEGER-UHFFFAOYSA-N
Mol Weight 133.15 g/mol
Molecular Formula C7H7N3
Exact Mass 133.063997 g/mol

View Spectrum of 1-Methyl-benzotriazole

13C NMR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample J. P. Fayet, M. C. Vertut, A. Fruchier Org. Magn. Resonance 11, 234(1978)
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WP-80

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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-D6

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

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

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

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

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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;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

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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

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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 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 CDCl3

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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 CH3OH

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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 DMSO-D6

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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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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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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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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum O7-0-1267-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum H-62-2142-0
  • N-METHYL-BENZOTRIAZOLE;REFERENCES
  • 1-METHYLBENZOTRIAZOL
  • 1-METHYL-1H-BENZOTRIAZOLE
  • 1H-Benzotriazole, 1-methyl-
1-METHYL-1H-BENZOTRIAZOLE
1-Aminobenzotriazole
1,3-DIMETHYLBENZOTRIAZOLE
1,3-DIMETHYL-1H-BENZOTRIAZOLIUM IODIDE
N-Deuteriobenzotriazole
1-METHYLBENZIMIDAZOLE, MONOHYDROCHLORIDE
2-(N,N-Dimethylamino-methyl)-benzotriazole
2-BUTYL-BENZOTRIAZOLE
2-(benzotriazol-2-ylmethyl)benzotriazole
1,3-DIMETHYLBENZIMIDAZOLIUM_CATION
1,3-DIMETHYLBENZIMIDAZOLIUM IODIDE
Title Journal or Book Year
An improved method for the N-alkylation of benzotriazole and 1,2,4-triazole Recueil des Travaux Chimiques des Pays-Bas 2010
NMR investigation of chlorophosphorylation products of N -vinylazoles Magnetic Resonance in Chemistry 2008
1H,13C and15N NMR spectroscopy and tautomerism of nitrobenzotriazoles Magnetic Resonance in Chemistry 2008
Study of the structure of 1-hydroxymethylindazole and 1-hydroxymethylbenzotriazole by X-ray crystallography, multinuclear NMR in solution and DFT calculations Journal of Heterocyclic Chemistry 2004
Substituent effects on the15N NMR Parameters of Azoles Magnetic Resonance in Chemistry 1997
Study of the Orientation of Lithiation of 1- and 2-Alkylbenzotriazoles The Journal of Organic Chemistry 1995
The Diverse Reactivity of (Benzothiazol-2-ylthio)(benzotriazol-1yl)methane HETEROCYCLES 1994
Experimental (13C and15N NMR spectroscopy) and theoretical (6-31G) study of the protonation ofN-methylazoles andN-methylbenzazoles Magnetic Resonance in Chemistry 1993
The Reaction between Benzotriazole and Diarylnitrileimines HETEROCYCLES 1985
On the Possibility of Chlorotropy in Aromatic Azoles: The Case of 1,2,3-Triazoles and Benzotriazoles HETEROCYCLES 1985
Rearrangement of unsaturated acylhydroxybenzotriazoles The Journal of Organic Chemistry 1985
A15N NMR study of some azoles Organic Magnetic Resonance 1984
Nitrogen-15 NMR spectroscopy: prototropic tautomerism of azoles The Journal of Organic Chemistry 1982
Differentiation between isomeric structures of benzazoles by14N,13C and1H NMR Organic Magnetic Resonance 1978
1-METHYL-1H-BENZOTRIAZOLE
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