3-甲基-5,6,7,8-四氢喹啉(28712-62-1)质谱(MS)
InChI:InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h6-7H,2-5H2,1H3
InChIKey: GMMKZUPOLVXWFF-UHFFFAOYSA-N
Smiles:N1C2=C(CCCC2)C=C(C)C=1
-
Mass
MS-IW-1361
3-methyl-5,6,7,8-tetrahydroquinoline
C10H13N (Mass of molecular ion: 147)
Source Temperature: 230 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
27.0 1.4
39.0 4.8
41.0 1.7
50.0 1.5
51.0 4.3
52.0 2.3
53.0 2.4
63.0 2.6
65.0 4.9
65.5 1.3
66.0 1.8
71.5 1.3
72.5 1.1
77.0 8.1
78.0 3.4
79.0 3.3
89.0 1.6
90.0 1.0
91.0 7.4
92.0 2.4
93.0 4.5
103.0 2.2
104.0 7.4
105.0 2.1
106.0 4.5
107.0 1.5
115.0 3.2
116.0 1.5
117.0 8.0
118.0 10.2
119.0 31.7
120.0 4.6
121.0 1.1
128.0 1.2
129.0 1.4
130.0 7.8
131.0 16.0
132.0 34.2
133.0 3.8
143.0 2.3
144.0 10.4
145.0 3.4
146.0 100.0
147.0 96.6
148.0 11.5
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C10 H13 N
|
20.8 mg : 0.5 ml CDCl3
|
| 3-methyl-5,6,7,8-tetrahydroquinoline
|
 |
Assign. Shift(ppm)
A 8.176
B 7.157
C 2.875
D 2.721
E 2.252
F 1.873
G 1.787
|
Hz ppm Int.
3268.07 8.178 166
3267.33 8.176 163
3266.72 8.174 168
2860.96 7.159 173
2860.47 7.158 171
2859.99 7.157 172
2859.50 7.156 171
1155.27 2.891 116
1149.05 2.876 240
1142.58 2.859 139
1093.75 2.737 129
1087.65 2.722 234
1081.18 2.706 125
900.15 2.253 1000
761.84 1.907 47
758.54 1.899 45
755.74 1.892 102
752.69 1.884 91
752.20 1.883 100
750.49 1.878 151
748.41 1.873 68
746.70 1.869 107
746.09 1.867 98
744.38 1.863 177
740.23 1.853 56
737.92 1.847 75
735.72 1.841 36
726.93 1.819 35
724.49 1.813 79
722.53 1.808 64
718.26 1.798 183
716.43 1.793 110
712.16 1.782 161
711.18 1.780 92
709.96 1.777 99
707.28 1.770 110
703.98 1.762 47
701.17 1.755 42
700.44 1.753 35
-
| 1H NMR |
89.56 MHz |
| C10 H13 N
|
0.04 ml : 0.5 ml CDCl3
|
| 3-methyl-5,6,7,8-tetrahydroquinoline
|
|
Assign. Shift(ppm)
A 8.170
B 7.142
C 2.87
D 2.71
E 2.244
F 1.90 to 1.74
400MHZ : HSP-40-251
|
Hz ppm Int.
732.50 8.179 169
731.69 8.170 167
730.88 8.161 171
640.19 7.149 176
639.63 7.142 174
639.06 7.136 171
262.69 2.934 86
262.31 2.929 86
262.00 2.926 85
261.19 2.917 81
257.13 2.872 190
253.88 2.835 88
253.50 2.831 87
250.38 2.796 167
246.63 2.754 83
243.06 2.714 197
238.13 2.659 127
201.00 2.245 1000
173.50 1.938 52
173.13 1.934 50
170.44 1.904 118
168.75 1.885 126
166.56 1.860 353
163.81 1.830 286
162.75 1.818 295
159.88 1.786 341
157.38 1.758 144
155.63 1.738 114
153.56 1.715 56
153.19 1.711 55