4'-三氟甲基苯乙酮(709-63-7)Raman光譜
InChI:InChI=1S/C9H7F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-5H,1H3
InChIKey: HHAISVSEJFEWBZ-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=C(C(F)(F)F)C=C1)C
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Mass
MS-KW-0554
4'-(trifluoromethyl)acetophenone
C9H7F3O (Mass of molecular ion: 188)
Source Temperature: 230 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 1.5
39.0 1.0
42.0 1.3
43.0 16.0
50.0 4.4
51.0 2.3
57.0 1.5
62.0 1.0
63.0 2.1
69.0 1.8
74.0 2.2
75.0 6.8
76.0 1.7
77.0 1.0
95.0 8.8
96.0 1.0
99.0 1.2
119.0 1.5
125.0 4.6
126.0 2.8
144.0 1.1
145.0 69.6
146.0 5.7
169.0 4.9
173.0 100.0
174.0 8.9
188.0 14.2
189.0 1.5
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9H7F3O
|
0.038 g : 0.5 ml CDCl3
|
| 4'-(trifluoromethyl)acetophenone
|
 |
Assign. Shift(ppm)
A 8.064
B 7.734
C 2.652
|
Hz ppm Int.
3228.40 8.076 111
3227.67 8.074 125
3219.61 8.054 136
3218.88 8.052 116
3096.20 7.745 132
3095.59 7.744 148
3087.41 7.723 131
3086.80 7.722 108
1059.94 2.652 1000
1056.77 2.644 19
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| 1H NMR |
89.56 MHz |
| C9 H7 F3 O
|
0.05 g : 0.5 ml CDCl3
|
| 4'-(trifluoromethyl)acetophenone
|
|
Assign. Shift(ppm)
A 8.06
B 7.73
C 2.643
|
Hz ppm Int.
726.94 8.117 76
726.19 8.109 81
718.13 8.019 126
695.69 7.768 129
695.19 7.763 132
686.94 7.671 79
236.88 2.645 1000
235.75 2.633 55
234.06 2.614 26