4'-溴-2'-甲基乙酰苯胺(24106-05-6)紅外圖譜(IR1)
分子式:C9H10BrNO
分子量: 228.09
InChI:InChI=1S/C9H10BrNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey: IJZSFOIZVXCSFP-UHFFFAOYSA-N
Smiles:C(NC1=CC=C(Br)C=C1C)(=O)C
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Mass
MS2015-05116CW
4'-bromo-2'-methylacetanilide
C9H10BrNO (Mass of molecular ion: 227)
Source Temperature: 245 °C
Sample Temperature: 20 °C
Direct, 70 eV
17.0 1.2
18.0 6.5
39.0 1.5
43.0 13.9
44.0 2.4
50.0 1.8
51.0 4.5
52.0 2.5
57.0 1.2
63.0 2.2
75.0 1.3
76.0 1.8
77.0 8.8
78.0 7.8
79.0 4.5
89.0 2.3
90.0 1.5
104.0 8.0
105.0 5.9
106.0 38.3
107.0 4.2
147.0 1.0
149.0 2.0
184.0 12.0
185.0 100.0
186.0 19.8
187.0 99.9
188.0 8.4
227.0 43.2
228.0 4.6
229.0 41.8
230.0 4.4
in CDCl3
400 MHz at 50C
400 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C9 H10 Br N O
|
0.040 g : 0.5 ml CDCl3 at 50 C
|
| 4'-bromo-2'-methylacetanilide
|
 |
Assign. Shift(ppm)
A 7.53
B 7.29
C 7.27
D 7.16
E 2.177
F 2.120
|
Hz ppm Int.
3010.01 7.532 34
2914.55 7.293 148
2908.45 7.278 136
2899.54 7.256 90
2863.16 7.165 32
880.86 2.205 21
870.00 2.177 1000
847.41 2.121 201
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| 1H NMR |
399.65 MHz |
| C9 H10 Br N O
|
0.038 g : 0.5 ml DMSO-d6
|
| 4'-bromo-2'-methylacetanilide
|
|
Assign. Shift(ppm)
A 9.31
B 7.411
C 7.410
D 7.323
E 2.195
F 2.061
|
Hz ppm Int.
3719.33 9.307 91
2966.46 7.423 107
2963.10 7.415 165
2961.12 7.410 180
2958.22 7.403 163
2931.37 7.335 108
2929.23 7.330 99
2922.82 7.314 69
2920.53 7.308 64
877.53 2.196 1000
823.97 2.062 669