2-溴-5-硝甲苯(7149-70-4)紅外圖譜(IR1)
分子式:C7H6BrNO2
分子量: 216.03
InChI:InChI=1S/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChIKey: HIMGPQVBNICCGL-UHFFFAOYSA-N
Smiles:C1(Br)=CC=C([N+]([O-])=O)C=C1C
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Mass
MS-IW-0893
2-bromo-5-nitrotoluene
C7H6BrNO2 (Mass of molecular ion: 215)
Source Temperature: 230 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
28.0 2.6
30.0 6.6
37.0 1.1
38.0 2.8
39.0 9.9
40.0 1.4
50.0 3.8
51.0 6.6
52.0 1.7
61.0 2.0
62.0 6.3
63.0 20.3
64.0 5.5
65.0 1.3
74.0 2.0
75.0 1.8
77.0 7.4
78.0 14.4
79.0 1.1
85.0 1.0
86.0 2.1
87.0 1.9
88.0 1.4
89.0 46.9
90.0 92.1
91.0 7.4
105.0 2.6
106.0 3.9
117.0 1.2
119.0 1.3
143.0 1.9
145.0 1.8
157.0 15.3
158.0 1.1
159.0 15.0
160.0 1.0
168.0 1.2
169.0 43.5
170.0 4.6
171.0 42.4
172.0 3.4
185.0 23.6
186.0 2.0
187.0 23.2
188.0 1.8
199.0 1.6
201.0 1.6
215.0 100.0
216.0 8.6
217.0 97.8
218.0 8.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H6 Br N O2
|
0.034 g : 0.5 ml CDCl3
|
| 2-bromo-5-nitrotoluene
|
 |
Assign. Shift(ppm)
A 8.081
B 7.878
C 7.697
D 2.503
J(A,B)=2.6HZ
J(A,D)=0.6HZ
J(B,C)=8.7HZ
J(B,D)=0.5HZ
|
Hz ppm Int.
725.13 8.097 141
724.50 8.090 127
723.75 8.082 114
723.06 8.074 153
722.56 8.068 174
721.88 8.061 136
712.88 7.960 74
712.31 7.954 71
704.19 7.863 141
703.63 7.857 143
701.56 7.834 120
701.06 7.828 113
691.81 7.725 276
683.19 7.629 109
224.25 2.504 1000
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| 1H NMR |
399.65 MHz |
| C7 H6 Br N O2
|
0.039 g : 0.5 ml CDCl3
|
| 2-bromo-5-nitrotoluene
|
|
Assign. Shift(ppm)
A 8.102
B 7.908
C 7.701
D 2.507
|
Hz ppm Int.
3239.26 8.106 163
3236.57 8.099 167
3166.38 7.923 89
3163.70 7.917 82
3157.71 7.902 108
3155.03 7.895 98
3083.25 7.715 253
3074.58 7.694 208
1001.95 2.508 1000