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Comparative Analysis of The Chemical Structure of 1H-NMR Spectroscopy and 1H-NMR Spectrum Prediction Program in Visipaque Contrast Agent

Visipaque 조영제에서 1H-NMR Spectroscopy와 1H-NMR Spectrum 예측 프로그램의 화학적 구조 비교분석

  • Beom-Hee Han (R&D Team of Radiation Science Technology Laboratory)
  • 한범희 (방사선과학기술연구소 연구개발팀)
  • Received : 2024.10.02
  • Accepted : 2024.10.31
  • Published : 2024.10.31

Abstract

As a result of analyzing the spectrum using a 1H-NMR spectrometer and a 1H-NMR spectrum prediction program for Visipaque contrast agent, the molecular structure positions in the 2.18 ppm and 2.17 ppm regions were found to be different from each other. The 2.25 ppm and 2.34 ppm regions did not appear in the spectrum analysis using the spectrometer, but did appear in the analysis using the prediction program. In addition, the 2.58 ppm region appeared in the spectrum analysis using the spectrometer, but did not appear in the analysis using the prediction program. The 4.42 ppm region did not appear in the spectrum analysis using the spectrometer, but did appear in the analysis using the prediction program. In addition, the 5.61 ppm region appeared in the spectrum analysis using the spectrometer, but did not appear in the analysis using the prediction program. Based on this, it is thought that if we analyze it using the prediction program as a reference, we will be able to identify the chemical structure more clearly.

Visipaque 조영제 대상으로 1H-NMR Spectrometer를 이용한 스펙트럼 분석과 1H-NMR 스펙트럼 예측 프로그램을 이용하여 분석한 결과, 2.18 ppm영역과 2.17 ppm영역에서 분자구조 위치는 서로 상이하게 나타났다. 2.25 ppm영역과 2.34 ppm영역은 Spectrometer를 이용한 스펙트럼 분석에서는 나타나지 않았고, 예측 프로그램을 이용한 분석에서는 나타났다. 또한 2.58 ppm영역은 Spectrometer를 이용한 스펙트럼 분석에서는 나타났고, 예측 프로그램을 이용하여 분석에서는 나타나지 않았다. 4.42 ppm영역은 Spectrometer를 이용한 스펙트럼 분석에서는 나타나지 않았고, 예측 프로그램을 이용하여 분석에서는 나타났다. 그리고 5.61 ppm영역은 Spectrometer를 이용한 스펙트럼 분석에서는 나타났고, 예측 프로그램을 이용하여 분석에서는 나타나지 않았다. 이를 바탕으로 예측 프로그램을 이용하여 참고로 분석한다면 좀 더 명확한 화학구조를 파악할 수 있을 것으로 사료된다.

Keywords

References

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