2，5-二氯甲苯(19398-61-9)質(zhì)譜(MS)
InChI:InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey: KFAKZJUYBOYVKA-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=C(Cl)C=C1C
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Mass
MS-NW-5643
2,5-dichlorotoluene
C7H6Cl2 (Mass of molecular ion: 160)
Source Temperature: 280 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
36.0 1.0
37.0 1.9
38.0 2.5
39.0 6.8
43.0 3.7
43.5 1.1
44.0 8.5
44.5 1.2
49.0 1.4
50.0 4.3
51.0 3.7
60.0 1.2
61.0 4.0
61.5 1.4
62.0 12.3
62.5 1.0
63.0 15.4
64.0 2.0
65.0 1.2
73.0 6.0
74.0 2.5
75.0 2.7
80.0 1.2
84.0 1.2
85.0 2.2
86.0 2.4
87.0 2.6
88.0 1.0
89.0 29.3
90.0 4.6
91.0 1.2
97.0 2.0
99.0 5.8
101.0 1.7
123.0 4.0
124.0 5.8
125.0 100.0
126.0 10.0
127.0 31.4
128.0 2.7
133.0 1.0
159.0 7.6
160.0 66.9
161.0 10.1
162.0 44.2
163.0 4.2
164.0 7.0
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C7 H6 Cl2
|
0.04 ml : 0.5 ml CDCl3
|
| 2,5-dichlorotoluene
|
 |
Assign. Shift(ppm)
A 7.24
B 7.19
C 7.09
D 2.327
|
Hz ppm Int.
652.94 7.291 80
652.63 7.288 79
646.13 7.215 77
645.44 7.207 147
644.25 7.194 438
643.50 7.186 256
642.88 7.179 209
642.25 7.172 121
638.25 7.127 170
637.69 7.121 175
635.63 7.098 80
635.19 7.093 87
630.06 7.036 45
629.44 7.029 51
628.88 7.022 30
627.44 7.006 38
626.94 7.001 39
208.50 2.329 1000
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| 1H NMR |
399.65 MHz |
| C7 H6 Cl2
|
0.05 ml : 0.5 ml CDCl3
|
| 2,5-dichlorotoluene
|
|
Assign. Shift(ppm)
A 7.207
B 7.167
C 7.061
D 2.308
|
Hz ppm Int.
2885.25 7.220 278
2884.89 7.219 280
2876.46 7.198 347
2866.21 7.172 215
2865.84 7.171 216
2865.48 7.170 212
2863.65 7.166 233
2863.28 7.165 231
2827.27 7.075 167
2826.78 7.074 155
2824.71 7.068 148
2824.22 7.067 137
2818.85 7.054 125
2818.24 7.052 121
2816.28 7.047 113
2815.67 7.046 107
922.49 2.309 1000