Product Name3,5-Bis(trifluoromethyl)phenylacetic acid
CAS85068-33-3
Molecular FormulaC10H6F6O2
Molecular Weight272.14
InChI
InChIKey
Smiles

Mass
MS-KW-0232 3,5-bis(trifluoromethyl)phenylacetic acid C10H6F6O2 (Mass of molecular ion: 272)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.4
20.0 1.5
28.0 3.4
39.0 1.7
43.0 1.7
44.0 1.9
45.0 7.0
50.0 1.1
51.0 1.7
57.0 1.8
62.0 2.1
63.0 3.2
69.0 4.0
75.0 3.5
81.0 1.5
87.0 2.5
88.0 2.0
89.0 1.7
99.0 1.7
104.0 1.3
107.0 2.8
108.0 1.5
109.0 3.0
113.0 1.1
119.0 2.4
125.0 1.2
126.0 1.1
127.0 4.0
132.0 2.3
137.0 3.1
138.0 5.9
139.0 3.1
145.0 1.4
156.0 2.2
157.0 4.6
158.0 8.6
159.0 53.1
160.0 4.7
163.0 1.5
176.0 4.2
177.0 13.5
178.0 1.3
187.0 8.2
188.0 1.1
195.0 2.3
205.0 2.1
206.0 1.0
207.0 4.7
208.0 12.8
209.0 1.6
213.0 1.0
225.0 2.3
226.0 8.2
227.0 100.0
228.0 36.3
229.0 3.1
235.0 1.6
253.0 19.9
254.0 7.8
255.0 1.0
272.0 27.7
273.0 3.1
400 MHz in DMSO-d6

| 1H NMR | 399.65 MHz |
| C10H6F6O2 | 0.042 g : 0.5 ml DMSO-d6 |
| 3,5-bis(trifluoromethy)phenylacetic acid | |
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Assign. Shift(ppm) |
Hz ppm Int.
3212.29 8.036 637 3187.38 7.973 281 1564.58 3.914 1000
in DMSO-d6

KBr disk

Nujol


3,5-Bis(trifluoromethyl)phenylacetic acid(85068-33-3) 1H NMR Atlas of Related Products
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