Spectral analysis and structural characterization of two new psychoactive substances:1-(fluoromethylphenyl)imidazole-5-carboxylic acid methyl ester and 1-(fluoromethylphenyl)imidazole-5-carboxylic acid ethyl ester
10.13618/j.issn.1001-5728.2025.03.005
- VernacularTitle:两种依托咪酯衍生物1-(邻氟甲苯基)咪唑-5-羧酸甲酯和1-(邻氟甲苯基)咪唑-5-羧酸乙酯波谱分析及结构表征
- Author:
Yugang CAI
1
;
Hanfei TENG
;
Yongfu WU
;
Yan MO
;
Liwei LI
;
Yanjun WANG
;
Yong DAI
Author Information
1. 泸州市公安局刑事科学技术研究所,四川泸州 646000
- Publication Type:Journal Article
- Keywords:
New psychoactive substances;
Etomidate derivatives;
1-(o-fluoromethylphenyl)imidazole-5-carboxylic acid methyl ester;
1-(o-fluoromethylphenyl)imidazole-5-carboxylic acid ethyl ester;
Spectrum analysis;
Structure confirmation
- From:
Chinese Journal of Forensic Medicine
2025;40(3):288-294
- CountryChina
- Language:Chinese
-
Abstract:
Objective This study analyzed the chemical structures of two unknown substances in e-liquid using methods such as nuclear magnetic resonance(NMR),infrared spectroscopy(IR),and mass spectrometry(MS).Methods After separating,purifying,and freeze-drying two suspicious substances from e-liquid,GC-MS analysis was used to obtain the mass spectrum characteristic ion fragments and fragmentation patterns of unknown compounds.The precise mass numbers were measured by high-resolution mass spectrometry,and proton numbers and their assignments,carbon types,and fluorine atom numbers and positions were obtained by combining 1HNMR,13CNMR,and 19FNMR.The functional groups were then analyzed by infrared spectroscopy.Results Through data analysis,the molecular formulas of the two suspicious substances are C13H13FN2O2 and C14H15FN2O2,respectively.Their structures were determined to be etomidate derivatives:1-(o-fluoromethylphenyl)imidazole-5-carboxylic acid methyl ester and 1-(o-fluoromethylphenyl)imidazole-5-carboxylic acid ethyl ester.Conclusion The structural data of two substances obtained in this study in terms of mass spectrometry,nuclear magnetic resonance,and infrared spectroscopy provide support for combating crimes involving the two substances,and provide reference for the regulation and detection of the two drugs.
