2-氯-6-氟甲苯(443-83-4)核磁圖(13CNMR)
InChI:InChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey: FNPVYRJTBXHIPB-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=CC(F)=C1C
-
Mass
MS-IW-0705
2-chloro-6-fluorotoluene
C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 230 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
39.0 1.5
43.0 1.0
44.0 4.6
50.0 1.3
51.0 1.3
54.0 3.5
57.0 4.1
61.0 1.1
62.0 2.5
63.0 3.0
72.0 1.1
73.0 1.1
81.0 2.6
83.0 7.8
89.0 1.9
107.0 12.8
108.0 9.4
109.0 100.0
110.0 8.0
117.0 1.8
143.0 14.3
144.0 51.5
145.0 8.5
146.0 16.5
147.0 1.3
400 MHz in CDCl3
parameter neat
-
| 1H NMR |
399.65 MHz |
| C7 H6 Cl F
|
0.05 ml : 0.5 ml CDCl3
|
| 2-chloro-6-fluorotoluene
|
 |
Assign. Shift(ppm)
A 7.111
B 7.043
C 6.903
D 2.276
|
Hz ppm Int.
2847.05 7.124 190
2839.23 7.105 323
2824.95 7.069 116
2819.09 7.054 119
2818.60 7.053 117
2816.77 7.049 190
2810.91 7.034 188
2808.72 7.028 99
2802.73 7.013 91
2767.58 6.926 149
2766.36 6.922 141
2758.18 6.902 248
2750.00 6.882 119
2749.15 6.879 115
911.13 2.280 994
908.69 2.274 1000
-
| 1H NMR |
300 MHz |
| C7 H6 Cl F
|
neat
|
| 2-chloro-6-fluorotoluene
|
|
Parameter ppm Hz
D(A) 6.717
D(B) 6.842
D(C) 6.930
D(D) 2.155
J(A,B) 7.83
J(A,C) 2.68
J(A,D) 0.06
J(A,X) 8.78
J(B,C) 7.54
J(B,D) -0.03
J(B,X) 5.90
J(C,D) 0.02
J(C,X) -0.87
J(D,X) 2.42
ALBRIKTSEN,P. & HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
|
Hz ppm Int.
2084.49 6.948 106
2081.76 6.939 121
2076.90 6.923 156
2074.13 6.914 161
2063.03 6.877 91
2057.23 6.857 75
2055.31 6.851 161
2049.64 6.832 122
2047.77 6.826 81
2041.97 6.807 81
2024.30 6.748 104
2021.58 6.739 95
2016.04 6.720 107
2013.63 6.712 94
2008.15 6.694 85
2005.47 6.685 62
647.74 2.159 1000
645.33 2.151 872