2，6-二氯苯乙烯(28469-92-3)紅外圖譜(IR1)
InChI:InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InChIKey: YJCVRMIJBXTMNR-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=CC(Cl)=C1C=C
-
Mass
MS-NW-3508
2,6-dichlorostyrene
C8H6Cl2 (Mass of molecular ion: 172)
Source Temperature: 290 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
26.0 1.3
27.0 2.4
36.0 1.6
37.0 3.5
38.0 3.0
39.0 3.2
49.0 4.1
49.5 2.2
50.0 19.9
50.5 1.1
51.0 14.6
52.0 2.2
60.0 1.2
61.0 4.3
62.0 5.2
63.0 6.2
68.0 9.6
68.5 1.1
69.0 3.3
72.0 1.0
73.0 5.5
74.0 17.2
75.0 26.4
76.0 6.4
77.0 1.7
84.0 3.1
85.0 3.8
86.0 4.1
87.0 3.5
89.0 1.3
97.0 2.3
98.0 3.8
99.0 8.8
100.0 7.7
101.0 44.0
102.0 32.7
103.0 3.0
109.0 3.1
110.0 2.0
111.0 4.0
112.0 1.5
113.0 1.1
123.0 1.6
125.0 3.1
135.0 5.1
136.0 16.5
137.0 89.7
138.0 13.2
139.0 31.6
140.0 2.6
146.0 2.5
148.0 1.7
159.0 2.5
160.0 1.4
161.0 1.8
171.0 2.4
172.0 100.0
173.0 11.7
174.0 66.5
175.0 7.5
176.0 11.7
177.0 1.5
90 MHz in CDCl3
parameter in CS2
-
| 1H NMR |
89.56 MHz |
| C8 H6 Cl2
|
0.04 ml : 0.5 ml CDCl3
|
| 2,6-dichlorostyrene
|
 |
Assign. Shift(ppm)
A 7.28
B 7.08
C 6.69
D 5.79
E 5.71
|
Hz ppm Int.
658.69 7.355 345
656.38 7.329 408
654.63 7.310 31
652.75 7.289 30
649.81 7.256 1000
649.38 7.251 893
646.25 7.216 50
645.31 7.206 51
639.13 7.137 484
632.94 7.068 249
632.44 7.062 204
629.75 7.032 168
623.56 6.963 113
623.13 6.958 96
616.31 6.882 154
604.88 6.754 188
598.31 6.681 228
586.88 6.553 296
526.69 5.881 345
525.13 5.864 551
517.31 5.777 538
515.75 5.759 330
508.75 5.681 301
507.13 5.663 317
505.88 5.649 365
504.31 5.631 332
-
| 1H NMR |
300 MHz |
| C8 H6 Cl2
|
5 mol% in CS2
|
| 2,6-dichlorostyrene
|
|
Parameter ppm Hz
D(A) 7.202
D(B) 7.002
D(C) 6.625
D(D) 5.729
D(E) 5.628
J(A,B) 8.06
J(A,C) 0.39
J(A,D) -0.10
J(A,E) 0.05
J(B,C) -0.53
J(B,D) 0.12
J(B,E) 0.13
J(C,D) 17.82
J(C,E) 11.72
J(D,E) 1.38
BARFIELD,M. ET AL. J.AM.CHEM.SOC. 93, 4195 (1971)
J(A,E)<0.05
|
Hz ppm Int.
2164.89 7.216 656
2156.86 7.190 1000
2107.99 7.027 271
2100.33 7.001 262
2099.81 6.999 257
2091.95 6.973 160
2002.70 6.676 173
1990.99 6.637 187
1984.88 6.616 197
1973.14 6.577 213
1728.03 5.760 316
1726.65 5.755 347
1710.21 5.701 282
1708.83 5.696 300
1694.81 5.649 344
1693.44 5.645 315
1683.13 5.610 315
1681.75 5.606 293