Structural Identification and Complete NMR Spectral Assignments of 4-Isopropoxy-1-(trifluoroacetyl)naphthalene

doi:10.11938/cjmr20253165

Abstract

Abstract:

In this paper, one-dimensional (¹H NMR, ¹³C NMR, DEPT, and ¹⁹F NMR) and two-dimensional NMR (¹H-¹H COSY, ¹H-¹³C HMBC, and ¹H-¹³C HSQC) techniques were applied to perform structural identification and NMR spectral assignments of the fluorine-containing compound 4-isopropoxy-1-(trifluoroacetyl)naphthalene. This paper could serve as a reference for further research on this class of compounds.

Key words: 4-isopropoxy-1-(trifluoroacetyl)naphthalene, nuclear magnetic resonance (NMR), structure elucidation

CLC Number:

O482.53

ZHENG Jiaqi, WANG Yinong, YUAN Siwen, YIN Tianpeng. Structural Identification and Complete NMR Spectral Assignments of 4-Isopropoxy-1-(trifluoroacetyl)naphthalene[J]. Chinese Journal of Magnetic Resonance, 2025, 42(4): 437-444.

Figures/Tables 8

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Table 1

References 10

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Position	δ_H(J/Hz)	δ_C	¹H-¹³C HSQC	¹H- ¹H COSY	¹H-¹³C HMBC
1	/	117.9, C	/	/	/
2	8.25 (1H, d, 8.5)	135.8, CH	+	H-3	C-1″, C-4, C-8a
3	6.86 (1H, d, 8.5)	103.9, CH	+	H-2	C-1, C-4, C-4a
4	/	160.4, C	/	/	/
4a	/	126.6, C	/	/	/
5	8.39 (1H, d, 8.5)	123.2, CH	+	H-6	C-4, C-7, C-8a
6	7.57 (1H, t, 7.6)	126.5, CH	+	H-5, H-7	C-4a
7	7.71 (1H, t, 7.8)	130.3, CH	+	H-6, H-8	C-5, C-8a
8	9.11 (1H, d, 8.5)	125.6, CH	+	H-7	C-1, C-6, C-4a
8a	/	133.7, C	/	/	/
1′	4.92 (1H, heptet, 6.0)	71.5, CH	+	H-2′	C-4, C-2′
2′	1.52 (6H, d, 6.0)	22.0, CH₃	+	H-1′	C-1′
1″	/	180.2, C	+	/	/
2″	/	117.3, C	+	/	/

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