3-硝基-5-(三氟甲基)苯甲酸(328-80-3)核磁圖(1HNMR)
分子式:C8H4F3NO4
分子量: 235.12
InChI:InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)
InChIKey: ODCLHXGXGFBBTA-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1
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Mass
MS-IW-3638
3-nitro-5-(trifluoromethyl)benzoic acid
C8H4F3NO4 (Mass of molecular ion: 235)
Source Temperature: 220 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
17.0 1.5
18.0 7.3
28.0 2.0
29.0 1.2
30.0 28.2
31.0 1.5
37.0 1.7
38.0 2.4
39.0 2.5
44.0 1.8
45.0 5.6
50.0 8.8
51.0 3.0
53.0 2.9
57.0 4.0
61.0 1.8
62.0 3.3
63.0 9.9
64.0 1.6
68.0 1.0
69.0 6.8
73.0 2.6
74.0 14.5
75.0 28.8
76.0 2.4
81.0 1.8
83.0 14.3
88.0 1.6
92.0 1.6
93.0 3.6
94.0 5.3
95.0 4.5
99.0 3.8
101.0 4.5
107.0 1.2
112.0 1.1
113.0 32.2
114.0 4.8
119.0 1.1
121.0 1.0
123.0 3.1
125.0 7.2
129.0 3.9
132.0 5.2
133.0 58.9
134.0 4.0
139.0 1.0
141.0 11.2
142.0 1.2
143.0 27.3
144.0 21.1
145.0 4.8
149.0 5.1
160.0 3.2
161.0 18.4
162.0 1.4
169.0 1.1
170.0 2.9
171.0 4.2
172.0 9.5
177.0 3.4
189.0 59.0
190.0 5.6
205.0 8.7
216.0 20.0
217.0 2.0
218.0 6.2
219.0 2.3
235.0 100.0
236.0 9.5
237.0 1.3