2,3-二甲基溴苯(576-23-8)紅外圖譜(IR1)
InChI:InChI=1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-N
Smiles:C1(Br)=CC=CC(C)=C1C
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Mass
MS-NW-8663
3-bromo-o-xylene
C8H9Br (Mass of molecular ion: 184)
Source Temperature: 260 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
27.0 3.7
38.0 1.7
39.0 6.4
50.0 5.2
51.0 14.7
52.0 3.8
53.0 2.3
61.0 1.0
62.0 2.7
63.0 6.5
64.0 1.4
65.0 2.0
74.0 2.1
75.0 2.0
76.0 1.8
77.0 19.0
78.0 10.9
79.0 16.6
80.0 1.1
89.0 3.0
90.0 3.1
91.0 1.8
92.0 1.4
102.0 2.6
103.0 17.7
104.0 9.0
105.0 100.0
106.0 9.1
169.0 6.8
171.0 6.6
183.0 3.4
184.0 55.4
185.0 8.1
186.0 54.2
187.0 4.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H9 Br
|
0.05 ml : 0.5 ml CDCl3
|
| 3-bromo-o-xylene
|
 |
Assign. Shift(ppm)
A 7.344
B 7.007
C 6.872
D *1 2.307
E *1 2.260
|
Hz ppm Int.
2939.58 7.356 176
2939.21 7.355 174
2931.52 7.336 190
2931.15 7.335 188
2805.30 7.020 150
2804.81 7.019 155
2797.36 7.000 200
2753.78 6.891 162
2745.97 6.871 243
2738.28 6.852 119
922.24 2.308 984
921.88 2.307 1000
903.20 2.260 941
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| 1H NMR |
89.56 MHz |
| C8 H9 Br
|
0.05 ml : 0.5 ml CDCl3
|
| 3-bromo-o-xylene
|
|
Assign. Shift(ppm)
A 7.35
B 7.02
C 6.90
D *1 2.324
E *1 2.283
|
Hz ppm Int.
663.94 7.414 72
662.50 7.398 69
662.00 7.392 69
656.38 7.329 105
654.63 7.310 104
633.19 7.071 52
627.38 7.006 155
626.06 6.991 117
625.75 6.987 119
622.94 6.956 173
615.44 6.872 137
607.94 6.789 42
208.19 2.325 1000
204.44 2.283 872
200.19 2.236 55