2-氯-4-硝基苯酚(619-08-9)質(zhì)譜(MS)
分子式:C6H4ClNO3
分子量: 173.55
InChI:InChI=1S/C6H4ClNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H
InChIKey: BOFRXDMCQRTGII-UHFFFAOYSA-N
Smiles:C1(O)=CC=C([N+]([O-])=O)C=C1Cl
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Mass
MS-NW-1822
2-chloro-4-nitrophenol
C6H4ClNO3 (Mass of molecular ion: 173)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
14.0 1.1
16.0 1.0
17.0 3.8
18.0 15.4
25.0 2.2
26.0 6.0
27.0 3.6
28.0 4.3
29.0 5.3
30.0 30.2
31.0 1.8
35.0 1.2
36.0 2.5
37.0 14.8
38.0 17.3
39.0 21.3
40.0 1.0
41.0 1.0
42.0 1.6
44.0 1.6
46.0 3.6
47.0 2.0
48.0 1.5
49.0 5.9
50.0 12.1
51.0 27.6
52.0 7.7
53.0 42.2
54.0 3.2
55.0 2.3
60.0 4.8
61.0 19.8
62.0 42.0
63.0 100.0
64.0 13.3
65.0 2.3
66.0 4.0
72.0 4.6
73.0 48.4
74.0 9.9
75.0 15.6
76.0 1.6
77.0 1.5
78.0 1.9
79.0 28.2
80.0 3.2
84.0 2.0
85.0 1.3
86.0 1.9
87.0 5.0
89.0 2.5
90.0 2.4
91.0 40.0
92.0 7.7
96.0 1.3
97.0 4.4
98.0 3.4
99.0 74.3
100.0 5.3
101.0 22.8
102.0 1.4
107.0 50.1
108.0 4.2
115.0 6.9
117.0 2.2
121.0 1.5
126.0 4.0
127.0 18.4
128.0 2.5
129.0 5.7
143.0 81.1
144.0 5.7
145.0 26.4
146.0 1.6
157.0 3.8
159.0 1.3
173.0 63.4
174.0 4.6
175.0 20.3
176.0 1.5
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| 1H NMR |
89.56 MHz |
| C6 H4 Cl N O3
|
0.042 g : 0.5 ml CDCl3
|
| 2-chloro-4-nitrophenol
|
 |
Assign. Shift(ppm)
A 8.224
B 8.09
C 7.148
|
Hz ppm Int.