3,5-雙三氟甲基苯甲酸(725-89-3)核磁圖(13CNMR)
InChI:InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17)
InChIKey: HVFQJWGYVXKLTE-UHFFFAOYSA-N
Smiles:C(O)(=O)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1
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Mass
MS-NW-7103
3,5-bis(trifluoromethyl)benzoic acid
C9H4F6O2 (Mass of molecular ion: 258)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.4
28.0 2.9
31.0 1.4
38.0 1.0
44.0 1.3
45.0 5.1
50.0 3.1
51.0 1.4
57.0 1.4
62.0 1.2
63.0 1.3
69.0 5.3
73.0 1.0
74.0 4.8
75.0 9.8
81.0 1.1
87.0 1.1
93.0 2.0
94.0 2.1
95.0 1.4
97.0 1.5
99.0 3.1
111.0 1.6
113.0 2.0
114.0 1.1
123.0 1.8
125.0 4.6
143.0 8.2
144.0 8.3
145.0 5.9
161.0 1.1
162.0 2.2
163.0 14.2
164.0 3.6
193.0 4.2
194.0 5.9
195.0 4.3
212.0 1.5
213.0 51.4
214.0 4.9
230.0 1.4
239.0 24.5
240.0 3.5
241.0 100.0
242.0 10.1
258.0 52.2
259.0 5.6