2-硝基苯胺-4-磺酸(616-84-2)核磁圖(1HNMR)
分子式:C6H6N2O5S
分子量: 218.19
InChI:InChI=1S/C6H6N2O5S/c7-5-2-1-4(14(11,12)13)3-6(5)8(9)10/h1-3H,7H2,(H,11,12,13)
InChIKey: VZLLZDZTQPBHAZ-UHFFFAOYSA-N
Smiles:C1(S(O)(=O)=O)=CC=C(N)C([N+]([O-])=O)=C1
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Mass
MS-NW-0737
3-nitrosulfanilic acid
C6H6N2O5S (Mass of molecular ion: 218)
Source Temperature: 170 °C
Sample Temperature: 160 °C
Direct, 75 eV
16.0 5.5
17.0 7.2
18.0 22.4
26.0 2.0
27.0 5.8
28.0 15.4
29.0 1.6
30.0 4.2
32.0 2.1
37.0 3.3
38.0 7.0
39.0 17.5
40.0 2.5
41.0 8.7
42.0 3.6
43.0 4.6
44.0 10.5
48.0 6.1
50.0 4.1
51.0 6.3
52.0 14.8
53.0 5.3
54.0 3.0
55.0 5.1
56.0 2.7
57.0 4.2
60.0 1.4
61.0 2.6
62.0 4.7
63.0 12.6
64.0 14.0
65.0 62.9
66.0 9.0
67.0 3.1
68.0 1.9
69.0 3.7
70.0 2.2
71.0 2.4
73.0 1.6
74.0 1.8
75.0 2.3
76.0 2.3
77.0 7.6
78.0 4.2
79.0 3.5
80.0 13.9
81.0 3.2
82.0 1.7
83.0 2.9
84.0 2.4
85.0 1.4
89.0 1.2
90.0 4.8
91.0 10.9
92.0 59.8
93.0 5.6
94.0 1.1
95.0 2.0
96.0 1.6
97.0 2.2
98.0 2.2
103.0 1.1
104.0 3.1
105.0 1.4
106.0 1.2
107.0 2.6
108.0 9.7
109.0 1.7
111.0 1.5
115.0 1.7
119.0 1.2
120.0 1.9
121.0 4.4
122.0 3.8
123.0 1.1
124.0 1.1
138.0 100.0
139.0 6.9
140.0 1.5
141.0 1.4
143.0 1.8
172.0 1.6
188.0 2.2
218.0 3.7
223.0 1.1