六硝基-1,2-二苯乙烯(20062-22-0)红外图谱(IR2)
分子式:C14H6N6O12
分子量: 450.23
InChI:InChI=1S/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H
InChIKey: YSIBQULRFXITSW-UHFFFAOYSA-N
Smiles:C(C1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1[N+]([O-])=O)=CC1=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1[N+]([O-])=O
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Mass
MS-IW-3315
2,2',4,4',6,6'-hexanitrostilbene
C14H6N6O12 (Mass of molecular ion: 450)
Source Temperature: 190 °C
Sample Temperature: 260 °C
Direct, 75 eV
17.0 2.5
18.0 9.5
27.0 1.6
28.0 10.9
29.0 3.0
30.0 100.0
37.0 1.0
38.0 2.6
39.0 2.6
42.0 1.0
43.0 1.7
44.0 29.2
45.0 1.2
46.0 6.2
50.0 6.7
51.0 3.8
52.0 2.0
53.0 6.1
54.0 1.4
55.0 1.8
57.0 1.8
61.0 3.4
62.0 15.9
63.0 14.7
64.0 6.4
65.0 8.9
66.0 4.7
67.0 3.7
68.0 2.8
69.0 6.3
71.0 1.2
73.0 2.3
74.0 41.7
75.0 44.2
76.0 14.0
77.0 7.9
78.0 2.5
79.0 2.7
80.0 2.0
81.0 3.5
85.0 1.5
86.0 10.9
87.0 16.4
88.0 10.7
89.0 5.6
90.0 10.9
91.0 18.8
92.0 6.6
93.0 6.6
94.0 1.6
97.0 1.0
98.0 8.6
99.0 8.0
100.0 5.0
101.0 2.3
102.0 2.2
103.0 15.9
104.0 5.8
105.0 2.0
106.0 1.2
107.0 3.1
109.0 1.4
110.0 5.3
111.0 7.7
112.0 4.8
113.0 1.3
114.0 1.1
115.0 1.1
116.0 4.4
117.0 1.8
118.0 1.4
119.0 81.7
120.0 31.9
121.0 39.3
122.0 7.2
123.0 5.8
124.0 4.3
125.0 1.7
126.0 1.3
127.0 1.1
132.0 1.0
133.0 3.5
134.0 4.4
135.0 6.1
136.0 4.1
137.0 5.3
138.0 2.0
139.0 1.2
146.0 1.5
147.0 1.7
148.0 18.2
149.0 13.5
150.0 6.2
151.0 5.4
152.0 4.4
161.0 13.5
162.0 6.4
163.0 3.5
164.0 3.1
165.0 67.1
166.0 6.0
167.0 75.8
168.0 6.3
169.0 1.1
173.0 1.9
174.0 5.6
175.0 2.6
176.0 1.1
177.0 1.9
178.0 4.1
179.0 3.4
180.0 1.7
189.0 1.2
190.0 1.0
191.0 1.2
193.0 2.0
194.0 21.6
195.0 3.9
197.0 2.2
203.0 2.5
208.0 1.7
209.0 8.3
210.0 5.2
224.0 7.9
225.0 9.0
226.0 1.7
235.0 1.0
238.0 1.1
240.0 13.7
241.0 2.7
249.0 1.3
295.0 3.9
296.0 1.0
341.0 1.2
387.0 7.3
388.0 1.6
400 MHz in DMSO-d6 at 59C