3-乙酰氨基三氟甲苯(351-36-0)Raman光譜
InChI:InChI=1S/C9H8F3NO/c1-6(14)13-8-4-2-3-7(5-8)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey: HNIPNANLYHXYDE-UHFFFAOYSA-N
Smiles:C(NC1=CC=CC(C(F)(F)F)=C1)(=O)C
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Mass
MS-NW-7227
3'-(trifluoromethyl)acetanilide
C9H8F3NO (Mass of molecular ion: 203)
Source Temperature: 210 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.9
38.0 1.1
39.0 1.7
42.0 1.1
43.0 42.8
44.0 1.2
50.0 1.1
57.0 1.0
62.0 1.0
63.0 3.2
64.0 1.7
65.0 2.1
75.0 1.8
83.0 1.8
91.0 1.3
95.0 1.5
111.0 3.9
113.0 2.3
114.0 6.7
133.0 2.2
140.0 2.1
141.0 2.1
142.0 5.0
145.0 3.0
160.0 3.1
161.0 100.0
162.0 8.7
184.0 4.8
203.0 18.3
204.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9 H8 F3 N O
|
0.030 g : 0.5 ml CDCl3
|
| 3'-(trifluoromethyl)acetanilide
|
 |
Assign. Shift(ppm)
A 8.30
B 7.829
C 7.700
D 7.392
E 7.340
F 2.193
|
Hz ppm Int.
3315.19 8.296 48
3128.91 7.830 134
3081.79 7.712 68
3073.85 7.692 76
2963.26 7.415 44
2955.44 7.396 106
2947.63 7.376 76
2936.16 7.347 108
2928.47 7.328 56
876.83 2.194 1000
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| 1H NMR |
89.56 MHz |
| C9 H8 F3 N O
|
0.040 g : 0.5 ml CDCl3
|
| 3'-(trifluoromethyl)acetanilide
|
|
Assign. Shift(ppm)
A 8.2
B 7.81
C 7.68
D 7.50 to 7.290
E 2.186
|
Hz ppm Int.
699.25 7.808 101
695.50 7.766 38
692.19 7.729 44
690.69 7.713 35
690.25 7.708 36
689.69 7.701 34
689.13 7.695 34
688.75 7.691 33
688.19 7.685 33
686.19 7.662 54
684.88 7.648 37
684.06 7.639 37
663.50 7.409 90
660.81 7.379 76
660.50 7.375 77
659.50 7.364 74
657.44 7.341 162
656.31 7.329 140
195.81 2.187 1000