5-氟-2-甲基苯胺(367-29-3)红外图谱(IR1)
InChI:InChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
InChIKey: JLCDTNNLXUMYFQ-UHFFFAOYSA-N
Smiles:C1(N)=CC(F)=CC=C1C
-
Mass
MS-NW-6619
5-fluoro-o-toluidine
C7H8FN (Mass of molecular ion: 125)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 1.8
28.0 4.3
30.0 2.6
31.0 1.1
38.0 1.4
39.0 2.6
42.0 1.2
50.0 3.1
51.0 6.2
51.5 1.1
52.0 3.5
52.5 2.4
53.0 1.1
57.0 3.4
61.0 1.1
62.0 2.7
62.5 2.4
63.0 1.9
69.0 1.0
70.0 2.4
71.0 1.4
74.0 1.1
75.0 2.3
76.0 1.5
77.0 8.1
78.0 2.7
81.0 1.2
83.0 1.9
95.0 5.2
96.0 4.5
97.0 10.5
98.0 3.0
104.0 2.5
106.0 1.8
107.0 6.9
108.0 8.0
109.0 4.1
122.0 2.8
124.0 100.0
125.0 89.8
126.0 7.3
90 MHz in CDCl3
parameter in CCl4
-
| 1H NMR |
89.56 MHz |
| C7 H8 F N
|
0.030 g : 0.5 ml CDCl3
|
| 5-fluoro-o-toluidine
|
 |
Assign. Shift(ppm)
A 6.93
B 6.38
C 6.36
D 3.61
E 2.093
|
Hz ppm Int.
629.75 7.032 62
629.25 7.027 60
623.31 6.960 67
622.63 6.953 64
620.44 6.928 108
614.69 6.864 73
614.00 6.856 93
578.06 6.455 133
576.00 6.432 143
573.50 6.404 134
571.81 6.385 162
569.38 6.358 148
565.38 6.313 112
562.94 6.286 237
323.00 3.607 278
187.44 2.093 1000
-
| 1H NMR |
300 MHz |
| C7 H8 F N
|
10 mol% in CCl4
|
| 5-fluoro-o-toluidine
|
|
Parameter ppm Hz
D(A) 6.83
D(B) 6.25
D(C) 6.19
D(D) 2.02
J(A,B) 8.21
J(A,C) 0.29
J(A,D) -0.74
J(A,X) 6.38
J(B,C) 2.64
J(B,D) 0.31
J(B,X) 8.34
J(C,D) 0.43
J(C,X) 10.15
J(D,X) 0.0
D(E) 3.50
AKSNES,D. &.KRONHAUG,F.H. ACTA CHEM.SCAND. 25, 1871 (1971)
|
Hz ppm Int.
2056.19 6.854 68
2050.22 6.834 74
2049.59 6.832 81
2048.51 6.828 83
2042.13 6.807 72
2041.41 6.805 68
1884.59 6.282 51
1881.99 6.273 67
1876.37 6.255 97
1873.72 6.246 119
1868.15 6.227 58
1865.41 6.218 66
1863.34 6.211 113
1860.69 6.202 80
1853.19 6.177 100
1850.63 6.169 80
1049.99 3.500 1000
605.98 2.020 278