2-甲基芐胺(89-93-0)質(zhì)譜(MS)
InChI:InChI=1S/C8H11N/c1-7-4-2-3-5-8(7)6-9/h2-5H,6,9H2,1H3
InChIKey: CJAAPVQEZPAQNI-UHFFFAOYSA-N
Smiles:C1(CN)=CC=CC=C1C
-
Mass
MS-NW-6161
o-methylbenzylamine
C8H11N (Mass of molecular ion: 121)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.2
27.0 2.4
28.0 10.1
29.0 1.8
30.0 17.9
38.0 1.3
39.0 6.4
41.0 1.5
50.0 2.1
51.0 4.8
52.0 1.7
53.0 1.6
58.5 1.1
59.5 2.9
62.0 1.3
63.0 3.4
65.0 5.7
77.0 12.0
78.0 9.0
79.0 8.4
80.0 1.0
89.0 2.4
90.0 1.6
91.0 14.0
92.0 3.5
93.0 12.0
94.0 1.1
102.0 1.0
103.0 8.8
104.0 100.0
105.0 16.0
106.0 12.8
107.0 1.0
116.0 1.1
117.0 2.7
118.0 2.8
119.0 1.2
120.0 14.8
121.0 6.5
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C8 H11 N
|
0.04 ml : 0.5 ml CDCl3
|
| o-methylbenzylamine
|
 |
Assign. Shift(ppm)
A *1 7.27
B *2 7.19
C *2 7.15
D *1 7.15
E 3.833
F 2.321
G 1.56
|
Hz ppm Int.
656.25 7.328 23
655.25 7.317 37
654.88 7.313 38
652.75 7.289 47
652.13 7.282 42
650.81 7.267 63
647.75 7.233 171
647.00 7.225 81
645.63 7.209 30
643.25 7.183 223
641.44 7.163 441
638.50 7.130 417
636.44 7.107 42
343.38 3.835 374
207.94 2.322 1000
139.94 1.563 188
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| 1H NMR |
399.65 MHz |
| C8 H11 N
|
0.05 ml : 0.5 ml CDCl3
|
| o-methylbenzylamine
|
|
Assign. Shift(ppm)
A *1 7.24
B *2 7.16
C *1 7.12
D *1 7.11
E 3.773
F 2.278
G 1.81
A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.
90MHZ : HSP-03-686
|
Hz ppm Int.
2898.56 7.253 104
2896.85 7.249 120
2890.14 7.232 166
2868.41 7.178 64
2865.36 7.170 97
2861.21 7.160 108
2859.99 7.157 160
2857.42 7.150 136
2855.47 7.145 140
2853.64 7.141 122
2852.17 7.137 135
2848.14 7.127 260
2846.56 7.123 294
2844.73 7.119 255
2842.16 7.112 306
2840.82 7.109 252
2837.52 7.101 57
1507.81 3.773 484
910.52 2.279 1000
722.17 1.808 140