5-氯-2-氟甲苯(452-66-4)核磁圖(1HNMR)
InChI:InChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey: JOXXHDGUTVUBDL-UHFFFAOYSA-N
Smiles:C1(F)=CC=C(Cl)C=C1C
-
Mass
MS-KW-0413
5-chloro-2-fluorotoluene
C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 240 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
31.0 1.2
39.0 2.4
43.0 1.3
44.0 5.8
50.0 2.1
51.0 1.8
53.5 1.4
54.0 6.2
57.0 5.4
61.0 1.9
62.0 3.2
63.0 4.1
71.5 1.0
72.0 1.9
73.0 2.0
74.0 1.1
75.0 1.0
81.0 3.3
83.0 9.9
89.0 2.1
107.0 9.2
108.0 3.8
109.0 100.0
110.0 7.7
117.0 2.2
143.0 16.1
144.0 55.4
145.0 9.3
146.0 17.8
147.0 1.3
parameter neat
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C7 H6 Cl F
|
neat
|
| 5-chloro-2-fluorotoluene
|
 |
Parameter ppm Hz
D(A) 6.905
D(B) 6.913
D(C) 6.718
D(D) 2.090
J(A,B) 2.79
J(A,C) 0.56
J(A,D) -0.73
J(A,X) 6.59
J(B,C) 8.20
J(B,D) -0.66
J(B,X) 4.51
J(C,D) 0.33
J(C,X) 9.34
J(D,X) 2.25
ALBRIKTSEN,P. &.HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
|
Hz ppm Int.
2082.54 6.942 40
2082.00 6.940 42
2079.83 6.933 104
2079.20 6.931 109
2078.52 6.928 86
2076.62 6.922 182
2075.85 6.919 170
2074.04 6.913 306
2073.45 6.911 352
2068.84 6.896 278
2068.30 6.894 297
2066.67 6.889 149
2066.13 6.887 154
2024.38 6.748 175
2021.17 6.737 46
2018.50 6.728 51
2015.20 6.717 279
2012.62 6.709 38
2006.74 6.689 127
628.13 2.094 1000
626.19 2.087 850
-
| 1H NMR |
399.65 MHz |
| C7H6ClF
|
0.05 ml : 0.5 ml CDCl3
|
| 5-chloro-2-fluorotoluene
|
|
Assign. Shift(ppm)
A 7.109
B 7.064
C 6.885
D 2.212
|
Hz ppm Int.
2846.68 7.121 160
2846.32 7.120 170
2845.83 7.119 167
2845.59 7.118 164
2844.73 7.116 140
2844.00 7.114 204
2843.63 7.113 207
2843.14 7.112 205
2842.90 7.112 188
2839.73 7.104 162
2839.24 7.102 161
2838.99 7.102 155
2838.14 7.100 136
2837.41 7.098 198
2837.04 7.097 200
2836.55 7.096 204
2832.04 7.084 133
2831.43 7.083 135
2830.82 7.081 75
2829.35 7.078 104
2828.74 7.076 110
2828.13 7.075 105
2827.64 7.073 144
2827.03 7.072 141
2826.42 7.070 82
2824.83 7.066 104
2824.22 7.065 119
2823.37 7.063 165
2822.76 7.061 160
2822.15 7.060 90
2820.68 7.056 134
2820.07 7.055 141
2819.46 7.053 122
2818.97 7.052 163
2818.36 7.050 157
2816.29 7.045 119
2815.68 7.044 119
2760.63 6.906 290
2751.96 6.884 412
2751.59 6.883 408
2742.92 6.862 231
903.69 2.261 16
885.75 2.216 849
885.14 2.215 1000
883.92 2.211 748
883.67 2.211 743
882.94 2.209 902
881.84 2.206 664