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1-Methyl-1,2,3,4-tetrazole
SpectraBase Compound ID DXpQ5XNItEc
InChI InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3
InChIKey OMAFFHIGWTVZOH-UHFFFAOYSA-N
Mol Weight 84.08 g/mol
Molecular Formula C2H4N4
Exact Mass 84.043596 g/mol
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Solvent DMSO-D6
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Solvent Dioxane
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Solvent H2O
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Solvent DMF
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Solvent CDCl3
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Solvent Dioxane
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Solvent CDCl3
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Solvent Dioxane
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Solvent CDCl3
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Solvent CDCl3
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Solvent CDCl3
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Solvent DMSO;CR(ACAC)3
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Solvent DMSO;CR(ACAC)3=0.04M
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Solvent CDCl3
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Solvent DMSO
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Solvent C6D6
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Solvent DO-
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Solvent CDCl3
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Source of Spectrum O-2-4341-0
  • 1-METHYLTETRAZOLE
  • OMAFFHIGWTVZOH-UHFFFAOYSA-N
  • 1-METHYL-1H-TETRAZOLE
  • 1H-Tetrazole, 1-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
A15N NMR study of some azoles Organic Magnetic Resonance 1984
Nitrogen-15 NMR spectroscopy: prototropic tautomerism of azoles The Journal of Organic Chemistry 1982
10.1002/(sici)1097-458x(199703)35:3<209::aid-omr40>3.3.co;2-y "" ""

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