2-氯-4-氟甲苯(452-73-3)Raman光譜
InChI:InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey: CSARJIQZOSVYHA-UHFFFAOYSA-N
Smiles:C1(C)=CC=C(F)C=C1Cl
-
Mass
MS2015-05135CW
2-chloro-4-fluorotoluene
C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 250 °C
Sample Temperature: 250 °C
Reservoir, 70 eV
39.0 1.3
44.0 2.5
50.0 1.5
51.0 1.2
54.0 2.2
57.0 4.0
61.0 1.4
62.0 2.5
63.0 3.0
72.0 1.0
73.0 1.0
81.0 3.7
83.0 8.0
89.0 1.6
107.0 15.7
108.0 9.9
109.0 100.0
110.0 7.5
117.0 2.4
143.0 23.6
144.0 45.5
145.0 10.6
146.0 14.4
147.0 1.1
in DMSO-d6
400 MHz in CDCl3
parameter neat
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-
| 1H NMR |
399.65 MHz |
| C7 H6 Cl F
|
0.05 ml : 0.5 ml CDCl3
|
| 2-chloro-4-fluorotoluene
|
 |
Assign. Shift(ppm)
A 7.111
B 7.043
C 6.831
D 2.287
|
Hz ppm Int.
2850.22 7.132 127
2849.85 7.131 137
2844.12 7.117 135
2843.75 7.116 145
2842.90 7.114 117
2841.80 7.111 156
2841.31 7.110 163
2835.69 7.096 143
2835.21 7.095 156
2820.56 7.058 204
2817.87 7.051 212
2812.01 7.037 202
2809.33 7.030 212
2739.62 6.856 124
2736.94 6.849 118
2731.45 6.835 214
2728.76 6.828 201
2723.02 6.814 108
2720.34 6.807 103
914.18 2.288 1000
913.82 2.287 948
913.33 2.286 853
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| 1H NMR |
300 MHz |
| C7 H6 Cl F
|
neat
|
| 2-chloro-4-fluorotoluene
|
|
Parameter ppm Hz
D(A) 6.863
D(B) 6.670
D(C) 6.908
D(D) 2.151
J(A,B) 2.73
J(A,C) 0.25
J(A,D) 0.41
J(A,X) 8.39
J(B,C) 8.80
J(B,D) 0.39
J(B,X) 8.00
J(C,D) -0.75
J(C,X) 5.77
J(D,X) 1.28
ALBRIKTSEN,P. & HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
|
Hz ppm Int.
2080.29 6.934 87
2079.67 6.932 87
2074.45 6.915 87
2073.55 6.912 102
2071.50 6.905 118
2070.88 6.903 115
2064.68 6.882 222
2061.78 6.873 156
2056.06 6.854 143
2053.39 6.845 147
2010.42 6.701 87
2007.75 6.692 80
2001.90 6.673 105
2000.20 6.667 83
1999.22 6.664 98
1994.18 6.647 64
1991.42 6.638 64
645.55 2.152 1000