4,4'-DINITRODIPHENYL ETHER(101-63-3) 13C NMR
Molecular FormulaC12H8N2O5
Molecular Weight260.2
InChIInChI=1S/C12H8N2O5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
InChIKey MWAGUKZCDDRDCS-UHFFFAOYSA-N
SmilesO(C1=CC=C([N+]([O-])=O)C=C1)C1=CC=C([N+]([O-])=O)C=C1
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Mass
MS-NW-2582
bis(p-nitrophenyl) ether
C12H8N2O5 (Mass of molecular ion: 260)
Source Temperature: 200 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 3.6
26.0 1.4
27.0 1.2
28.0 4.9
30.0 12.3
37.0 1.8
38.0 8.1
39.0 6.4
46.0 1.3
50.0 37.1
51.0 7.4
52.0 2.6
53.0 2.7
54.0 1.7
61.0 1.7
62.0 6.3
63.0 26.9
64.0 36.1
65.0 4.7
69.0 2.2
69.5 2.1
70.0 1.1
74.0 10.3
75.0 29.6
76.0 45.8
77.0 6.2
78.0 1.5
79.0 2.5
80.0 1.5
82.0 1.0
87.0 1.7
88.0 1.8
89.0 3.4
90.0 1.9
92.0 34.5
93.0 2.8
101.0 1.0
102.0 4.3
103.0 2.7
109.0 1.0
113.0 3.7
114.0 7.0
115.0 2.5
116.0 2.8
122.0 4.4
127.0 5.4
128.0 31.9
129.0 4.2
130.0 1.4
137.0 1.0
138.0 2.3
139.0 69.1
140.0 23.7
141.0 2.7
144.0 2.9
155.0 5.7
156.0 13.9
157.0 2.5
160.0 1.7
167.0 17.5
168.0 62.2
169.0 9.1
183.0 3.5
184.0 9.9
185.0 2.1
186.0 3.1
197.0 1.0
213.0 1.0
214.0 3.9
230.0 48.6
231.0 6.5
244.0 3.2
260.0 100.0
261.0 14.5
262.0 1.9