2-芐基吡啶(101-82-6)紅外圖譜(IR2)
InChI:InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey: PCFUWBOSXMKGIP-UHFFFAOYSA-N
Smiles:C1(CC2=CC=CC=C2)=NC=CC=C1
-
Mass
MS-NW-8485
2-benzylpyridine
C12H11N (Mass of molecular ion: 169)
Source Temperature: 260 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
18.0 3.7
27.0 2.1
28.0 1.3
39.0 5.5
41.0 1.0
50.0 3.6
51.0 11.4
52.0 2.9
62.0 1.2
63.0 3.7
64.0 1.2
65.0 6.6
74.0 1.0
75.0 1.1
76.0 1.4
77.0 13.5
78.0 4.3
83.5 4.8
84.0 1.6
89.0 2.7
90.0 1.1
91.0 5.9
105.0 9.9
115.0 2.7
139.0 2.2
140.0 1.5
141.0 2.0
154.0 3.5
155.0 10.9
156.0 1.3
166.0 3.1
167.0 21.8
168.0 100.0
169.0 23.9
170.0 2.4
182.0 4.8
183.0 3.0
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C12 H11 N
|
0.028 g : 0.5 ml CDCl3
|
| 2-benzylpyridine
|
 |
Assign. Shift(ppm)
A 8.54
B 7.535
C 7.35 to 7.18
D 7.09
E 4.153
|
Hz ppm Int.
768.50 8.581 60
766.69 8.561 54
765.94 8.553 74
762.88 8.519 82
761.75 8.506 62
760.94 8.497 64
677.31 7.563 65
676.13 7.550 55
675.25 7.540 66
669.94 7.481 77
668.06 7.460 81
654.19 7.305 50
652.63 7.288 115
650.25 7.261 1000
648.25 7.239 287
646.31 7.217 86
645.56 7.209 69
643.88 7.190 45
641.25 7.161 48
640.19 7.149 108
639.13 7.137 133
637.63 7.120 133
635.94 7.101 105
634.50 7.085 47
633.63 7.075 55
633.19 7.071 45
631.81 7.055 89
630.88 7.045 75
629.56 7.030 65
629.13 7.025 64
628.75 7.021 63
627.44 7.006 45
372.00 4.154 457
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| 1H NMR |
399.65 MHz |
| C12 H11 N
|
28.3 mg : 0.5 ml CDCl3
|
| 2-benzylpyridine
|
|
Assign. Shift(ppm)
A 8.546
B 7.559
C 7.30
D 7.27
E 7.26
F 7.217
G 7.097
J 4.159
J(A,D)=5.6HZ. J(A,B)=1.8HZ.
|
Hz ppm Int.
3419.56 8.557 143
3417.72 8.552 157
3417.11 8.551 156
3413.94 8.543 165
3412.60 8.539 141
3411.99 8.538 139
3029.79 7.582 134
3027.95 7.577 139
3022.22 7.563 276
3020.39 7.558 214
3014.53 7.543 159
3012.57 7.539 157
2926.51 7.323 85
2925.42 7.320 143
2923.83 7.316 83
2921.75 7.311 47
2919.19 7.305 202
2918.09 7.302 402
2917.24 7.300 303
2915.89 7.297 81
2914.92 7.294 64
2913.45 7.291 154
2911.25 7.285 569
2910.40 7.283 426
2909.79 7.281 232
2908.33 7.278 325
2907.84 7.276 452
2907.23 7.275 379
2906.13 7.272 587
2903.20 7.265 128
2901.12 7.260 136
2900.76 7.259 141
2899.41 7.255 251
2898.93 7.254 359
2898.07 7.252 126
2897.58 7.251 129
2896.12 7.247 52
2894.78 7.244 42
2893.80 7.241 45
2891.24 7.235 132
2889.77 7.231 134
2887.57 7.226 91
2885.01 7.219 95
2884.52 7.218 78
2883.91 7.217 94
2882.69 7.214 230
2880.00 7.207 63
2878.17 7.202 43
2877.69 7.201 60
2877.20 7.200 40
2875.73 7.196 86
2874.02 7.192 47
2843.87 7.116 69
2842.65 7.113 254
2842.29 7.112 271
2841.92 7.112 287
2841.43 7.110 212
2840.21 7.107 242
2838.62 7.103 240
2837.40 7.100 127
2836.91 7.099 113
2836.30 7.097 120
2835.08 7.094 239
2834.59 7.093 243
2834.23 7.092 261
2832.28 7.087 249
2831.54 7.086 172
2831.05 7.084 206
2829.96 7.082 109
1662.35 4.160 1000