4'-溴乙酰苯胺(103-88-8)質(zhì)譜(MS)
InChI:InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
InChIKey: MSLICLMCQYQNPK-UHFFFAOYSA-N
Smiles:C(NC1=CC=C(Br)C=C1)(=O)C
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Mass
MS-NW-0171
4'-bromoacetanilide
C8H8BrNO (Mass of molecular ion: 213)
Source Temperature: 200 °C
Sample Temperature: 0 °C
Direct, 75 eV
14.0 2.7
15.0 12.9
26.0 1.4
28.0 3.2
37.0 5.1
38.0 12.0
39.0 14.1
40.0 2.6
41.0 3.4
42.0 4.6
43.0 70.4
44.0 1.4
45.5 2.6
49.0 1.6
50.0 9.7
51.0 4.6
52.0 6.6
61.0 5.0
62.0 12.1
63.0 34.7
64.0 20.0
65.0 31.0
66.0 4.2
74.0 5.2
75.0 6.4
76.0 4.0
77.0 1.5
78.0 1.2
79.0 1.1
88.0 1.5
89.0 1.2
90.0 9.0
91.0 21.9
92.0 44.6
93.0 3.4
105.0 1.7
117.0 4.5
119.0 5.0
133.0 1.5
143.0 8.5
144.0 1.0
145.0 8.2
155.0 1.2
157.0 1.0
169.0 1.2
170.0 4.7
171.0 100.0
172.0 10.7
173.0 95.5
174.0 7.3
213.0 27.9
214.0 3.2
215.0 27.4
216.0 2.5
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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| 1H NMR |
399.65 MHz |
| C8 H8 Br N O
|
0.039 g : 0.5 ml DMSO-d6
|
| 4'-bromoacetanilide
|
 |
Assign. Shift(ppm)
A 10.1
B 7.569
C 7.471
D 2.055
|
Hz ppm Int.
4023.13 10.067 71
3033.29 7.590 25
3030.55 7.584 173
3028.41 7.578 69
3023.68 7.566 83
3021.55 7.561 263
3018.80 7.554 38
2992.25 7.488 46
2989.50 7.481 330
2987.37 7.475 92
2982.64 7.464 74
2980.50 7.458 210
2977.60 7.451 21
821.38 2.056 1000
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| 1H NMR |
89.56 MHz |
| C8 H8 Br N O
|
0.048 g : 0.5 ml DMSO-d6
|
| 4'-bromoacetanilide
|
|
Assign. Shift(ppm)
A 10.03
B 7.54
C 7.48
D 2.053
|
Hz ppm Int.
898.31 10.031 39
684.06 7.639 42
683.75 7.635 42
683.19 7.629 38
680.94 7.604 29
677.31 7.563 41
674.56 7.532 376
673.00 7.515 113
672.50 7.509 109
670.94 7.492 366
668.19 7.461 49
664.63 7.422 30
662.38 7.396 41
661.81 7.390 42
183.88 2.054 1000