2-氯三氯甲苯(2136-89-2)核磁圖(1HNMR)
InChI:InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey: MFHPYLFZSCSNST-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=CC=C1C(Cl)(Cl)Cl
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Mass
MS-NW-1073
alpha,alpha,alpha,2-tetrachlorotoluene
C7H4Cl4 (Mass of molecular ion: 228)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
18.0 1.3
35.0 1.3
36.0 2.8
37.0 1.7
38.0 1.5
39.0 3.4
43.0 3.5
49.0 1.5
50.0 3.5
51.0 1.5
60.0 2.1
61.0 10.3
62.0 6.8
63.0 4.7
72.0 1.3
73.0 7.7
74.0 1.7
75.0 2.8
78.0 1.2
78.5 2.3
79.0 4.2
79.5 2.0
80.0 2.2
84.0 1.8
85.0 2.1
86.0 2.9
87.0 4.3
88.0 1.7
96.0 2.9
96.5 6.2
97.0 6.2
97.5 6.2
98.0 1.7
98.5 1.9
99.0 2.2
107.0 1.6
109.0 1.3
123.0 22.0
124.0 2.3
125.0 6.9
133.0 2.4
135.0 1.4
157.0 4.1
158.0 7.4
159.0 7.2
160.0 5.4
161.0 3.4
162.0 1.0
176.0 1.6
193.0 100.0
194.0 8.3
195.0 95.7
196.0 8.1
197.0 31.1
198.0 2.6
199.0 3.5
228.0 6.8
229.0 1.2
230.0 8.6
231.0 1.0
232.0 4.1
246.0 5.2
248.0 3.2
316.0 1.1
318.0 1.6
parameter in CDCl3
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C7 H4 Cl4
|
10 wt% in CCl4
|
| o-chlorobenzylidyne trichloride
|
 |
Parameter ppm Hz
D(A) 8.14
D(B) 7.27
D(C) 7.31
D(D) 7.48
J(A,B) 7.43
J(A,C) 1.84
J(A,D) 0.31
J(B,C) 7.06
J(B,D) 1.25
J(C,D) 7.71
SMITH,W.B. ET AL. J.PHYS.CHEM. 74, 812 (1970)
|
Hz ppm Int.
2453.06 8.177 12
2446.69 8.156 516
2444.70 8.149 387
2444.07 8.147 377
2439.74 8.132 624
2437.43 8.125 552
2430.73 8.102 13
2248.78 7.496 451
2247.03 7.490 548
2241.87 7.473 427
2241.25 7.471 458
2239.83 7.466 634
2232.88 7.443 19
2201.97 7.340 193
2199.86 7.333 239
2194.93 7.316 589
2192.79 7.309 547
2187.87 7.293 1000
2185.83 7.286 716
2180.73 7.269 598
2179.12 7.264 518
2173.66 7.246 198
2172.11 7.240 157
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| 1H NMR |
399.65 MHz |
| C7 H4 Cl4
|
0.05 ml : 0.5 ml CDCl3
|
| alpha,alpha,alpha,2-tetrachlorotoluene
|
|
Assign. Shift(ppm)
A 8.151
B 7.510
C *1 7.352
D *1 7.310
|
Hz ppm Int.
3266.24 8.173 41
3262.08 8.163 809
3260.38 8.159 735
3260.01 8.158 656
3257.32 8.151 82
3254.15 8.143 1000
3252.44 8.139 851
3248.17 8.128 31
3006.96 7.524 739
3005.25 7.520 879
3002.93 7.514 92
2999.39 7.506 819
2998.90 7.504 789
2997.56 7.501 933
2950.68 7.384 38
2947.88 7.377 403
2946.04 7.372 459
2943.97 7.367 95
2940.43 7.358 962
2938.60 7.353 883
2932.86 7.339 762
2930.91 7.334 699
2928.59 7.328 802
2926.88 7.324 817
2920.65 7.309 793
2919.07 7.305 796
2913.21 7.290 396
2911.62 7.286 348