4-氟-2-硝基甲苯(446-10-6)核磁圖(13CNMR)
InChI:InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N
Smiles:C1(C)=CC=C(F)C=C1[N+]([O-])=O
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Mass
MS-NW-5808
4-fluoro-2-nitrotoluene
C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.4
27.0 2.0
28.0 5.5
29.0 1.5
30.0 5.4
31.0 4.2
33.0 1.0
37.0 1.6
38.0 2.7
39.0 11.2
43.0 1.1
44.0 1.9
46.0 1.0
49.0 1.1
50.0 6.7
51.0 9.1
52.0 1.8
56.0 2.3
57.0 20.1
58.0 1.2
59.0 7.1
61.0 2.8
62.0 6.6
63.0 15.7
64.0 2.4
65.0 1.2
68.0 1.8
69.0 1.9
70.0 2.6
71.0 1.3
74.0 2.5
75.0 3.9
76.0 1.3
77.0 8.3
78.0 1.0
80.0 1.4
81.0 9.1
82.0 5.8
83.0 83.9
84.0 7.7
85.0 1.5
86.0 1.6
87.0 1.8
88.0 1.2
89.0 7.8
90.0 7.2
94.0 2.1
95.0 8.5
96.0 5.4
97.0 5.3
105.0 1.2
107.0 24.8
108.0 22.1
109.0 45.9
110.0 38.7
111.0 6.5
123.0 1.1
125.0 1.7
138.0 100.0
139.0 9.3
155.0 16.5
156.0 1.5
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H6 F N O2
|
0.04 ml : 0.5 ml CDCl3
|
| 4-fluoro-2-nitrotoluene
|
 |
Assign. Shift(ppm)
A 7.694
B 7.35
C 7.24
D 2.570
J(F-19,A)=8.5HZ
|
Hz ppm Int.
694.44 7.754 102
692.19 7.729 114
686.13 7.662 108
683.69 7.634 121
666.00 7.437 32
660.81 7.379 36
660.25 7.373 46
659.63 7.366 37
658.13 7.349 155
657.69 7.344 185
656.88 7.335 140
655.81 7.323 261
653.50 7.297 192
652.25 7.283 161
651.69 7.277 221
648.69 7.244 210
647.19 7.227 58
646.31 7.217 160
645.00 7.202 48
640.06 7.147 45
637.63 7.120 37
230.88 2.578 1000
229.69 2.565 944
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| 1H NMR |
399.65 MHz |
| C7 H6 F N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 4-fluoro-2-nitrotoluene
|
|
Assign. Shift(ppm)
A 7.680
B 7.353
C 7.254
D 2.567
90MHZ : HSP-02-573
J(F-19,A)=8.5HZ
J(F-19,B)=5.6HZ
|
Hz ppm Int.
3075.20 7.695 209
3072.39 7.688 210
3066.65 7.674 207
3063.96 7.667 213
2946.53 7.373 120
2941.28 7.360 127
2940.92 7.359 126
2937.99 7.352 182
2932.74 7.339 175
2932.37 7.338 177
2907.59 7.276 153
2905.15 7.270 149
2900.02 7.257 171
2897.34 7.250 167
2896.61 7.248 131
2891.85 7.236 103
2891.48 7.236 105
2888.79 7.229 101
1027.10 2.570 950
1026.73 2.570 966
1026.37 2.569 1000
1025.88 2.567 982