Spectroscopic Data of Fluopimomide and Interpretations

doi:10.11938/cjmr20253157

Abstract

Abstract:

Fluopimomide is a broad-spectrum fungicide whose structure was characterized using high-resolution mass spectrometry (HR-MS), ultraviolet spectroscopy (UV), infrared spectroscopy (IR), and nuclear magnetic resonance spectroscopy (NMR). The characteristic absorption bands in the UV spectrum, as well as the characteristic absorption peaks in the IR spectrum and their corresponding vibrational modes of functional groups were identified. Furthermore, the structure was confirmed through comprehensive analysis of ¹H NMR spectrum, ¹³C NMR spectrum, distortionless enhancement by polarization transfer (DEPT), homonuclear correlation spectrum (¹H-¹H COSY), heteronuclear single quantum coherence spectroscopy (¹H-¹³C HSQC), and heteronuclear multiple bond correlation spectroscopy (¹H-¹³C HMBC). The connectivity of relevant groups was assigned, thereby unequivocally verifying the compound's structure. The spectroscopic data and structural confirmation are crucial for quality control during pesticide production and provide a valuable reference for the synthesis of fluopimomide analogs.

Key words: NMR, fluopimomide, complete assignment, HR-MS, IR

CLC Number:

O482.53

YI Chunhai, LI Fang, YANG Xiaoyun. Spectroscopic Data of Fluopimomide and Interpretations[J]. Chinese Journal of Magnetic Resonance, 2025, 42(4): 429-436.

Figures/Tables 10

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Table 1

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Position	δ_C(J/Hz)	δ_H(J/Hz)	HSQC	¹H-¹H COSY	HMBC
1	/	7.68 (s, 1H)	/	H-9	/
2	158.3	/	/	/	/
3	108.7 (t, J = 17.6 Hz)	/	/	/	/
4, 8	144.8 (dd, J = 251.4 Hz；17.6Hz)	/	/	/	/
5, 7	140.7 (dd, J = 265.7 Hz；15.4Hz)	/	/	/	H-15
6	140.2 (t, J = 11.0 Hz)	/	/	/	/
9	42.8	4.92 (s, 2H)	/	H-1	/
10	155.8	/	/	/	H-9, H-12, H-14
11	130.6	/	/	/	H-9, H-12
12	134.3 (q, J = 1.8 Hz)	7.98 (s, 1H)	+	H-14	H-14
13	127.0 (q, J = 33.8 Hz)	/	/	/	H12, H-14
14	143.4 (q, J = 1.6 Hz)	8.72 (s, 1H)	+	H-12	H-12
15	62.1	4.14 (s, 3H)	+	H-15	/
16	122.4 (q, J = 272.9 Hz)	/	/	/	H-12