4350-41-8

2-对氯苄基吡啶(4350-41-8)核磁图(¹HNMR)

产品名称:2-对氯苄基吡啶

CAS:4350-41-8

分子式:C12H10ClN

分子量: 203.67

InChI:InChI=1S/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2

InChIKey: XSVWMIMFDMJQRL-UHFFFAOYSA-N

Smiles:C1(CC2=CC=C(Cl)C=C2)=NC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5829          
2-(p-chlorobenzyl)pyridine
C12H10ClN           (Mass of molecular ion:    203)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       1.8
      28.0       1.2
      38.0       1.2
      39.0       4.5
      50.0       3.1
      51.0       6.2
      52.0       2.1
      62.0       1.7
      63.0       5.1
      64.0       1.2
      65.0       2.6
      69.5       1.0
      70.5       3.3
      73.0       1.1
      74.0       1.3
      75.0       2.7
      77.0       1.0
      78.0       3.5
      82.5       1.4
      83.5      13.6
      84.0       2.2
      87.0       1.0
      89.0       6.5
      90.0       2.2
      99.0       2.2
     101.0       1.1
     111.0       1.2
     113.0       1.1
     114.0       1.1
     115.0       1.9
     125.0       7.5
     126.0       1.0
     127.0       2.7
     139.0       4.3
     140.0       2.6
     141.0       1.7
     165.0       1.2
     166.0       6.3
     167.0      56.0
     168.0      16.9
     169.0       2.7
     189.0       1.4
     201.0       2.8
     202.0     100.0
     203.0      40.9
     204.0      36.7
     205.0      13.2
     206.0       1.6

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₀ Cl N	0.05 ml : 0.5 ml CDCl₃
2-(p-chlorobenzyl)pyridine

    Assign.     Shift(ppm)

      A             8.52
      B             7.539
      C             7.232
      D             7.173
      E             7.08
      F             7.07
      G             4.091

     Hz     ppm     Int.

   3409.42   8.532    157
   3404.66   8.520    153
   3022.22   7.563    130
   3020.26   7.558    140
   3014.40   7.543    251
   3012.57   7.539    275
   3006.84   7.524    152
   3005.00   7.520    157
   2900.63   7.258     33
   2898.19   7.252     91
   2895.87   7.247    448
   2893.80   7.241    222
   2889.40   7.230    251
   2887.33   7.225    842
   2885.01   7.219    214
   2881.10   7.210     41
   2878.30   7.203     34
   2876.10   7.197     46
   2872.19   7.187    142
   2871.58   7.186    132
   2870.00   7.182    657
   2867.68   7.176    259
   2863.40   7.165    148
   2861.82   7.161    314
   2861.21   7.160    396
   2836.18   7.097    115
   2834.96   7.094    174
   2830.20   7.082    354
   2829.10   7.079    379
   2822.51   7.063    286
   2821.41   7.060    290
   1635.01   4.092   1000

¹H NMR	89.56 MHz
C₁₂ H₁₀ Cl N	0.04 ml : 0.5 ml CDCl₃
2-(p-chlorobenzyl)pyridine

    Assign.     Shift(ppm)

      A             8.53
      B             7.55
      C          7.33 to 7.00
      D             4.103

     Hz     ppm     Int.

    767.88   8.574     93
    766.00   8.553    119
    765.19   8.544     85
    764.13   8.533     60
    762.13   8.510    117
    761.06   8.498     89
    760.25   8.489     91
    686.06   7.661     63
    684.19   7.640     65
    678.44   7.576    158
    677.25   7.562     92
    675.88   7.547     96
    670.88   7.491    129
    668.94   7.470    128
    655.63   7.321     57
    655.25   7.317     56
    654.44   7.308     59
    652.25   7.283     44
    650.75   7.267     54
    649.56   7.253     65
    646.56   7.220   1000
    645.69   7.210    703
    644.88   7.201    820
    641.81   7.167    112
    640.88   7.156    164
    638.38   7.128    162
    636.94   7.112    316
    636.50   7.107    295
    634.50   7.085     89
    633.19   7.071     88
    630.81   7.044     89
    629.50   7.029    190
    628.69   7.020    155
    367.44   4.103    736

in CDCl3