6-甲基喹啉(91-62-3)核磁图(13CNMR)
InChI:InChI=1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3
InChIKey: LUYISICIYVKBTA-UHFFFAOYSA-N
Smiles:N1C2C(=CC(C)=CC=2)C=CC=1
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Mass
MS-NW-0152
6-methylquinoline
C10H9N (Mass of molecular ion: 143)
Source Temperature: 230 °C
Sample Temperature: 75 °C
Reservoir, 75 eV
18.0 1.4
28.0 2.1
38.0 1.0
39.0 3.8
50.0 2.2
51.0 3.0
57.5 2.1
58.5 5.0
62.0 2.2
63.0 5.6
64.0 1.5
65.0 1.9
70.5 3.0
71.5 3.9
74.0 1.3
75.0 1.7
76.0 1.2
77.0 1.1
87.0 1.2
88.0 1.2
89.0 6.0
90.0 1.5
113.0 1.4
114.0 2.2
115.0 14.1
116.0 5.5
117.0 3.8
140.0 2.4
141.0 7.8
142.0 47.8
143.0 100.0
144.0 11.6
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C10 H9 N
|
0.029 g : 0.5 ml CDCl3
|
| 6-methylquinoline
|
 |
Assign. Shift(ppm)
A 8.833
B 8.03
C 7.99
D 7.55
E 7.53
F 7.328
G 2.520
J(A,B) = 1.7 HZ.
J(A,F) = 4.3 HZ.
J(B,F) = 8.3 HZ
|
Hz ppm Int.
794.19 8.868 123
792.50 8.849 137
789.94 8.821 132
788.19 8.801 140
724.31 8.088 101
723.63 8.080 85
722.50 8.068 129
721.69 8.059 148
718.25 8.020 50
716.13 7.997 139
714.81 7.982 149
712.19 7.953 195
679.38 7.586 62
677.38 7.564 369
676.31 7.552 235
675.31 7.541 179
674.38 7.530 131
670.31 7.485 134
668.31 7.463 73
662.13 7.394 195
657.88 7.346 169
653.88 7.302 166
649.63 7.254 159
225.75 2.521 1000
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| 1H NMR |
399.65 MHz |
| C10 H9 N
|
28.8 mg : 0.5 ml CDCl3
|
| 6-methylquinoline
|
|
Assign. Shift(ppm)
A 8.843
B 8.044
C 8.004
D 7.55
E 7.54
F 7.339
G 2.523
J(A,F)=4.3HZ. J(A,B)=1.7HZ. J(B,F)=8.2HZ.
J(E,D)=2.0HZ. J(C,E)=8.4HZ.
D AND E WERE CONFIRMED BY LAOCN PROGRAM.
|
Hz ppm Int.
3537.11 8.851 129
3535.40 8.847 139
3532.84 8.840 143
3531.13 8.836 144
3219.60 8.057 111
3218.75 8.054 114
3218.14 8.053 112
3211.43 8.036 123
3210.45 8.034 121
3209.84 8.032 121
3203.13 8.015 174
3194.70 7.994 185
3019.53 7.556 230
3018.55 7.553 266
3017.70 7.551 321
3009.03 7.530 148
3007.08 7.525 115
2939.21 7.355 186
2934.94 7.344 183
2930.91 7.334 176
2926.76 7.324 173
1008.54 2.524 1000