二硝散(1594-56-5)紅外圖譜(IR2)
分子式:C7H3N3O4S
分子量: 225.18
InChI:InChI=1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H
InChIKey: XQDQRCRASHAZBA-UHFFFAOYSA-N
Smiles:S(C1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O)C#N
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Mass
MS-NW-2415
2,4-dinitrophenyl thiocyanate
C7H3N3O4S (Mass of molecular ion: 225)
Source Temperature: 210 °C
Sample Temperature: 140 °C
Direct, 75 eV
17.0 1.3
18.0 6.7
26.0 1.1
27.0 1.7
28.0 5.4
29.0 1.5
30.0 100.0
32.0 1.3
37.0 4.5
38.0 6.8
39.0 5.1
43.0 2.2
44.0 2.4
45.0 16.7
46.0 3.6
48.0 1.3
49.0 1.5
50.0 5.4
51.0 7.2
52.0 2.9
53.0 3.3
57.0 3.7
58.0 6.3
60.0 1.0
61.0 6.6
62.0 16.7
63.0 38.2
64.0 6.8
65.0 1.5
68.0 1.1
69.0 45.7
70.0 9.2
71.0 2.8
73.0 3.5
74.0 24.9
75.0 25.7
76.0 6.7
77.0 5.5
78.0 2.1
79.0 22.8
80.0 3.0
81.0 5.3
82.0 18.0
83.0 7.0
84.0 1.5
85.0 1.0
86.0 1.1
87.0 1.4
88.0 24.4
89.0 5.4
91.0 14.2
92.0 1.5
93.0 5.9
94.0 13.4
95.0 10.4
96.0 2.6
97.0 1.0
98.0 1.0
101.0 1.3
103.0 10.5
104.0 7.2
105.0 3.5
106.0 9.3
107.0 15.4
108.0 1.9
109.0 4.0
114.0 3.0
115.0 29.7
116.0 3.2
120.0 3.1
121.0 10.2
122.0 2.5
123.0 2.7
131.0 23.5
132.0 5.1
133.0 16.6
134.0 2.0
135.0 1.0
136.0 1.4
137.0 5.7
149.0 5.1
151.0 4.2
152.0 3.8
161.0 6.0
179.0 5.2
183.0 6.1
195.0 1.7
209.0 1.7
225.0 46.3
226.0 4.5
227.0 2.5