Identification of nitrotriazone by nuclear magnetic resonance 1H, 13C.

Abstract

Introduction. Nuclear magnetic resonance NMR is a highperformance instrumental analytical method that allows elucidation and confirmation of the steric structure of organic compounds. NMR is based on measuring the absorption of electromagnetic radiation by the method 1H NMR 13C NMR. Purpose. • Identification and confirmation of the steric structure of Nitrotriazone by the method of nuclear magnetic resonance with the 1H proton and 13C carbon technique. Material and methods. 1H and 13C NMR spectra were recorded for 2% d6-DMSO solutions using a “Bruker-Avance III 40013 and 10061 MHz. The chemical changes were expressed in ppm, referring to the center of the signal using the solvent peaks as reference d6-DMSO 250 ppm. The assumption and confirmation of the molecular skeleton is carried out with the help of the NMR spectra that gather the resonance signals resulting from the interaction of the nuclear spin of the analyzed atom in a magnetic field with an electromagnetic radiation with long wavelength (hertzian waves) and low energy. Results. 1H RMN DMSO-d6, 400 MHz 8,72 1H, s 8,27 1H, s 8,13 1H, d, d, J = 8,9, 1,9, Hz 7,82 1H, s 7,78 1H, td, J = 3,9, 1,6 Hz 7,71 2H, d, J = 8,3Hz 7,59 1H, dt, J = 8,3, 1,9 Hz 7,21 2H, d, J = 8,9 Hz RMN 13C DMSO-d6, 100 MHz 189,9, 153,2, 148,7, 146,7, 141,7, 137,9, 137,0, 135,1, 135,0, 132,0, 131,7, 131,5, 130,3, 128,2, 124,2 Anal. Calculated for C17H10Cl2N4O3, C 52,52, H 2,64%. Finder C 52,46, H 2,59%. In the 1H NMR spectrum of Nitrotriazon the chemical shifts have values in the range of 87-71 ppm. The signals at 872 and 827 ppm belong to the protons of the 1,2,4-triazole group. The bands at 813; 778; 771; 759 and 721 ppm are decomposed into peaks called doublets. The doublet at 813 and 721 ppm is attributed to four protons in the pnitrophenyl substituent. Vinyl strips and aromatic ring are in the region of 782- 759 ppm. In the 13C NMR spectrum signals at 1899 ppm belong to the C = O group; 1532 and 1467 ppm are attributed to the triazole ring. The peak at 1487 ppm belongs to the carbon in the nitro group in the aromatic ring. Conclusions. The 1H proton and 13C carbon spectra of Nitrotriazone were investigated, highlighting absorption bands, which distinguish Nitrotriazone from other substances and allow their use to identify and confirm the steric structure.