2,6-二氯苯胺(608-31-1)質(zhì)譜(MS)
InChI:InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey: JDMFXJULNGEPOI-UHFFFAOYSA-N
Smiles:C1(N)=C(Cl)C=CC=C1Cl
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Mass
MS-NW-1866
2,6-dichloroaniline
C6H5Cl2N (Mass of molecular ion: 161)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 1.1
28.0 5.0
36.0 1.5
37.0 8.1
38.0 9.3
39.0 7.1
41.0 2.5
44.0 1.2
44.5 6.8
45.0 1.4
45.5 2.0
47.0 1.8
48.0 1.2
49.0 2.5
50.0 3.0
51.0 2.8
52.0 12.0
53.0 1.1
60.0 1.8
61.0 7.7
62.0 13.4
62.5 4.8
63.0 29.1
63.5 1.5
64.0 7.2
65.0 6.8
66.0 1.1
72.0 2.9
73.0 9.6
74.0 3.5
75.0 4.3
76.0 1.2
80.5 3.3
81.5 1.9
86.0 1.5
87.0 1.1
88.0 2.4
89.0 7.0
90.0 41.2
91.0 6.3
97.0 2.9
98.0 5.2
99.0 12.6
100.0 3.0
101.0 4.3
124.0 2.1
125.0 12.9
126.0 12.6
127.0 5.1
128.0 3.9
133.0 3.7
134.0 2.0
135.0 2.6
136.0 1.3
160.0 1.1
161.0 100.0
162.0 7.8
163.0 63.9
164.0 4.6
165.0 10.0
parameter in cyclohexane
90 MHz in CDCl3
parameter in benzene-d6
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| 1H NMR |
300 MHz |
| C6 H5 Cl2 N
|
3 mol% in cyclohexane
|
| 2,6-dichloroaniline
|
 |
Parameter ppm Hz
D(A) 7.035
D(B) 6.452
D(C) 4.32
J(A,B) 8.10
J(A,C) 0.33
J(B,C) 0.00
WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
|
Hz ppm Int.
2114.65 7.049 467
2106.56 7.022 504
1943.52 6.478 174
1935.42 6.451 251
1927.33 6.424 145
1296.04 4.320 1000
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| 1H NMR |
89.56 MHz |
| C6 H5 Cl2 N
|
0.046 g : 0.5 ml CDCl3
|
| 2,6-dichloroaniline
|
|
Assign. Shift(ppm)
A 7.154
B 6.593
C 4.4
|
Hz ppm Int.
645.50 7.208 627
644.69 7.199 661
642.75 7.177 46
642.31 7.172 42
641.81 7.167 41
641.44 7.163 38
640.63 7.154 35
637.31 7.117 1000
636.88 7.112 940
634.38 7.084 46
597.94 6.677 469
590.56 6.595 369
589.31 6.581 316
588.00 6.566 36
581.94 6.498 259
395.44 4.416 86
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| 1H NMR |
300 MHz |
| C6 H5 Cl2 N
|
3 mol% in benzene-d6
|
| 2,6-dichloroaniline
|
|
Parameter ppm Hz
D(A) 6.851
D(B) 6.126
D(C) 3.87
J(A,B) 8.08
J(A,C) 0.34
J(B,C) 0.00
WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)
|
Hz ppm Int.
2059.41 6.865 472
2051.34 6.838 509
1845.72 6.152 173
1837.68 6.126 282
1829.60 6.099 150
1161.02 3.870 1000