間氨基苯乙酮(99-03-6)質(zhì)譜(MS)
InChI:InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
InChIKey: CKQHAYFOPRIUOM-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=CC(N)=C1)C
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Mass
MS-NW-0190
3'-aminoacetophenone
C8H9NO (Mass of molecular ion: 135)
Source Temperature: 150 °C
Sample Temperature: 0 °C
Direct, 75 eV
15.0 4.5
27.0 1.4
28.0 4.1
37.0 1.9
38.0 6.1
39.0 17.5
40.0 1.8
41.0 4.6
42.0 1.8
43.0 16.4
46.0 2.0
50.0 4.0
51.0 4.5
52.0 6.8
53.0 1.9
54.0 2.0
60.0 1.6
61.0 2.1
62.0 4.8
63.0 11.2
64.0 6.8
65.0 44.3
66.0 7.7
74.0 2.0
75.0 1.5
76.0 1.9
77.0 3.8
78.0 1.8
79.0 1.3
89.0 1.3
90.0 1.3
91.0 5.7
92.0 98.5
93.0 10.6
104.0 1.0
106.0 3.2
119.0 1.5
120.0 100.0
121.0 8.2
134.0 1.1
135.0 83.3
136.0 8.6
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H9 N O
|
0.040 g : 0.5 ml CDCl3
|
| 3'-aminoacetophenone
|
 |
Assign. Shift(ppm)
A 7.313
B 7.259
C 7.225
D 6.863
E 3.89
F 2.545
|
Hz ppm Int.
2928.83 7.329 55
2927.73 7.326 69
2927.25 7.325 67
2926.15 7.322 61
2921.14 7.310 81
2920.04 7.307 97
2919.56 7.306 102
2918.58 7.303 86
2903.20 7.265 105
2901.00 7.259 130
2899.05 7.254 100
2894.53 7.243 107
2886.60 7.223 162
2878.91 7.204 77
2748.17 6.877 76
2747.07 6.874 78
2745.73 6.871 74
2744.63 6.868 73
2740.23 6.857 70
2739.26 6.855 69
2737.79 6.851 68
2736.82 6.849 62
1553.83 3.888 67
1017.09 2.545 1000
-
| 1H NMR |
89.56 MHz |
| C8 H9 N O
|
0.043 g : 0.5 ml CDCl3
|
| 3'-aminoacetophenone
|
|
Assign. Shift(ppm)
A 7.31
B 7.25
C 7.20
D 6.84
E 3.82
F 2.537
|
Hz ppm Int.
653.94 7.302 43
652.75 7.289 115
651.88 7.279 114
651.44 7.274 95
650.69 7.266 104
649.25 7.250 56
648.44 7.241 89
647.56 7.231 47
645.44 7.207 90
644.69 7.199 52
618.88 6.911 49
616.94 6.889 59
614.31 6.860 38
609.94 6.811 34
342.13 3.821 119
227.19 2.537 1000