3,4-二氯硝基苯(99-54-7)質(zhì)譜(MS)
InChI:InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChIKey: NTBYINQTYWZXLH-UHFFFAOYSA-N
Smiles:C1(Cl)=CC=C([N+]([O-])=O)C=C1Cl
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Mass
MS-NW-1663
1,2-dichloro-4-nitrobenzene
C6H3Cl2NO2 (Mass of molecular ion: 191)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 2.5
30.0 45.6
35.0 1.0
36.0 2.0
37.0 8.9
38.0 4.7
39.0 1.3
46.0 1.0
47.0 1.5
49.0 4.9
50.0 14.9
51.0 3.1
54.5 1.0
60.0 2.1
61.0 5.6
62.0 4.7
63.0 6.0
71.0 1.0
72.0 3.5
73.0 14.6
74.0 52.2
75.0 42.8
76.0 3.1
83.0 2.1
84.0 15.1
85.0 10.0
86.0 5.5
87.0 3.5
88.0 1.0
97.0 2.6
98.0 1.3
107.0 2.2
108.0 3.4
109.0 85.4
110.0 19.0
111.0 27.3
112.0 6.0
119.0 2.1
121.0 1.3
124.0 1.2
126.0 1.4
133.0 48.6
134.0 2.8
135.0 31.2
136.0 1.8
137.0 5.0
144.0 1.5
145.0 100.0
146.0 7.4
147.0 62.3
148.0 4.4
149.0 10.2
161.0 36.0
162.0 2.5
163.0 22.9
164.0 1.5
165.0 3.8
175.0 2.0
177.0 1.3
191.0 95.9
192.0 6.9
193.0 60.7
194.0 4.3
195.0 10.0
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C6 H3 Cl2 N O2
|
0.05 ml : 0.5 ml CDCl3
|
| 1,2-dichloro-4-nitrobenzene
|
 |
Assign. Shift(ppm)
A 8.341
B 8.084
C 7.654
J(A,B)=2.5HZ
J(B,C)=8.8HZ
|
Hz ppm Int.
748.38 8.357 779
745.88 8.329 919
730.44 8.156 471
727.88 8.128 352
721.63 8.058 678
719.06 8.029 572
688.88 7.692 1000
680.13 7.595 655
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| 1H NMR |
399.65 MHz |
| C6 H3 Cl2 N O2
|
0.042 g : 0.5 ml CDCl3
|
| 1,2-dichloro-4-nitrobenzene
|
|
Assign. Shift(ppm)
A 8.351
B 8.095
C 7.656
|
Hz ppm Int.
3338.75 8.355 922
3336.18 8.348 965
3241.33 8.111 528
3238.65 8.104 496
3232.42 8.089 571
3229.86 8.082 557
3068.12 7.678 22
3064.09 7.667 1000
3059.69 7.656 30
3058.59 7.654 33
3055.18 7.645 931