2-氯-4,6-二硝基苯胺(3531-19-9)核磁圖(1HNMR)
分子式:C6H4ClN3O4
分子量: 217.57
InChI:InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2
InChIKey: LHRIICYSGQGXSX-UHFFFAOYSA-N
Smiles:C1(N)=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1Cl
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Mass
MS-NW-1646
2-chloro-4,6-dinitroaniline
C6H4ClN3O4 (Mass of molecular ion: 217)
Source Temperature: 200 °C
Sample Temperature: 160 °C
Direct, 75 eV
18.0 2.4
27.0 1.0
28.0 6.5
30.0 14.6
37.0 4.2
38.0 4.8
39.0 6.8
40.0 1.0
41.0 2.7
44.0 4.1
44.5 1.4
46.0 1.1
49.0 2.1
50.0 4.7
51.0 5.5
52.0 25.3
53.0 3.7
60.0 1.3
61.0 10.0
62.0 21.2
63.0 24.6
64.0 5.5
65.0 10.4
66.0 1.5
68.0 1.3
69.0 1.2
72.0 1.2
73.0 5.1
74.0 3.7
75.0 5.3
76.0 6.4
77.0 2.6
78.0 23.6
79.0 1.9
85.0 1.6
86.0 3.6
87.0 2.2
88.0 5.9
89.0 13.2
90.0 37.4
91.0 4.0
94.0 2.2
96.0 1.3
97.0 5.1
98.0 14.0
99.0 3.4
100.0 6.6
101.0 1.8
106.0 1.2
112.0 1.6
113.0 8.1
114.0 1.7
115.0 2.6
119.0 2.3
123.0 1.2
124.0 4.6
125.0 56.1
126.0 7.8
127.0 18.2
128.0 2.2
129.0 4.2
131.0 1.3
140.0 1.3
141.0 19.6
142.0 1.9
143.0 6.3
171.0 10.8
173.0 3.5
187.0 32.5
188.0 2.5
189.0 10.8
201.0 2.3
217.0 100.0
218.0 8.2
219.0 32.8
220.0 2.7