2116-65-6

4-芐基吡啶(2116-65-6)Raman光譜

產品名稱:4-芐基吡啶

CAS:2116-65-6

分子式:C12H11N

分子量: 169.22

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

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

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

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

in CDCl3

in DMSO-d6