4-芐基吡啶(2116-65-6)Raman光譜
InChI:InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2
InChIKey: DBOLXXRVIFGDTI-UHFFFAOYSA-N
Smiles:C1=NC=CC(CC2=CC=CC=C2)=C1
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Mass
MS-NW-0165
4-benzylpyridine
C12H11N (Mass of molecular ion: 169)
Source Temperature: 220 °C
Sample Temperature: 80 °C
Reservoir, 75 eV
27.0 1.5
28.0 2.7
38.0 1.4
39.0 8.2
41.0 1.3
50.0 4.2
51.0 10.9
52.0 2.0
54.0 2.3
62.0 2.1
63.0 6.7
64.0 1.9
65.0 10.1
66.0 1.0
70.5 1.0
71.5 2.1
74.0 1.4
75.0 1.6
76.0 1.3
77.0 2.6
78.0 1.3
83.5 4.6
87.0 1.1
89.0 4.5
90.0 1.8
91.0 23.6
92.0 2.4
102.0 1.5
113.0 1.0
114.0 1.1
115.0 10.8
116.0 1.9
127.0 1.0
128.0 1.3
139.0 5.7
140.0 3.1
141.0 8.3
142.0 3.9
154.0 2.4
166.0 3.4
167.0 22.1
168.0 65.7
169.0 100.0
170.0 13.1
in DMSO-d6
400 MHz in CDCl3
90 MHz in CDCl3
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-
| 1H NMR |
399.65 MHz |
| C12 H11 N
|
34.7 mg : 0.5 ml CDCl3
|
| 4-benzylpyridine
|
 |
Assign. Shift(ppm)
A 8.489
B 7.308
C 7.244
D 7.171
E 7.093
F 3.954
|
Hz ppm Int.
3401.61 8.512 30
3399.05 8.506 33
3395.87 8.498 569
3394.29 8.494 354
3391.48 8.487 364
3389.77 8.482 590
2930.54 7.333 118
2929.32 7.330 219
2927.73 7.326 100
2926.15 7.322 36
2924.19 7.317 134
2922.49 7.313 558
2921.02 7.309 320
2918.58 7.303 53
2916.38 7.298 207
2914.92 7.294 476
2914.18 7.292 313
2912.72 7.289 112
2911.13 7.285 47
2909.55 7.281 39
2901.61 7.261 116
2900.51 7.258 345
2898.80 7.254 157
2896.48 7.248 34
2895.14 7.245 82
2892.82 7.239 272
2890.38 7.233 83
2886.84 7.224 60
2885.50 7.221 97
2884.16 7.217 61
2870.48 7.183 303
2869.87 7.181 409
2869.02 7.179 386
2868.41 7.178 546
2867.80 7.176 357
2866.21 7.172 147
2863.04 7.164 200
2862.30 7.163 289
2861.69 7.161 396
2861.08 7.159 360
2860.35 7.158 299
2858.64 7.153 68
2858.15 7.152 68
2837.65 7.101 552
2836.91 7.099 392
2836.06 7.097 359
2835.33 7.095 217
2833.86 7.091 231
2833.25 7.090 366
2832.28 7.087 398
2831.67 7.086 557
2826.66 7.073 30
1584.59 3.965 44
1580.32 3.955 1000
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| 1H NMR |
89.56 MHz |
| C12 H11 N
|
0.035 g : 0.5 ml CDCl3
|
| 4-benzylpyridine
|
|
Assign. Shift(ppm)
A 8.482
B 7.45 to 7.02
C 7.09
D 3.949
|
Hz ppm Int.
762.81 8.518 538
761.19 8.500 335
758.38 8.468 344
756.75 8.450 601
657.25 7.339 165
656.81 7.334 133
655.31 7.317 220
654.13 7.304 118
652.88 7.290 225
651.81 7.278 619
650.00 7.258 766
649.44 7.252 884
648.69 7.244 598
645.13 7.204 661
642.31 7.172 231
641.19 7.160 228
640.56 7.153 174
639.81 7.144 164
639.25 7.138 134
637.31 7.117 679
636.63 7.109 460
635.69 7.098 400
635.06 7.091 267
633.63 7.075 221
632.94 7.068 338
632.00 7.057 360
631.31 7.050 507
353.69 3.950 1000