620-95-1

3-苄基吡啶(620-95-1)红外图谱(IR2)

产品名称:3-苄基吡啶

CAS:620-95-1

分子式:C12H11N

分子量: 169.22

InChI:InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2

InChIKey: UUCLVSDUMKMBSM-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1CC1=CC=CC=C1

Mass

MS-IW-3672          
3-benzylpyridine
C12H11N             (Mass of molecular ion:    169)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      38.0       1.1
      39.0       7.0
      41.0       1.0
      50.0       2.5
      51.0       6.0
      52.0       1.4
      57.5       1.6
      62.0       1.7
      63.0       6.0
      64.0       2.6
      65.0       9.9
      66.0       1.1
      69.5       1.0
      70.0       1.2
      70.5       1.5
      71.5       3.0
      74.0       1.1
      75.0       1.2
      76.0       1.1
      77.0       2.7
      78.0       1.1
      83.5       6.7
      84.0       1.1
      89.0       4.4
      90.0       2.7
      91.0      14.9
      92.0       3.6
     102.0       1.3
     114.0       1.0
     115.0       9.6
     116.0       1.6
     128.0       1.0
     139.0       5.0
     140.0       2.8
     141.0       9.5
     142.0       2.5
     154.0       2.1
     166.0       4.6
     167.0      29.7
     168.0     100.0
     169.0      94.3
     170.0      11.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₁ N	0.035 g : 0.5 ml CDCl₃
3-benzylpyridine

    Assign.     Shift(ppm)

      A             8.506
      B             8.452
      C             7.445
      D             7.291
      E             7.214
      F             7.19
      G             7.17
      J             3.962

     Hz     ppm     Int.

   3399.41   8.506    171
   3379.76   8.457    121
   3375.85   8.448    124
   2982.06   7.462    112
   2980.35   7.458    170
   2979.74   7.456    167
   2978.03   7.452    113
   2974.24   7.443    134
   2972.53   7.438    198
   2971.92   7.437    195
   2970.21   7.433    130
   2923.58   7.316    129
   2922.49   7.313    212
   2920.90   7.309     94
   2917.24   7.300    140
   2915.53   7.296    575
   2914.18   7.292    295
   2909.30   7.280    191
   2907.96   7.277    465
   2905.88   7.272     98
   2891.72   7.236    106
   2890.26   7.232    211
   2888.92   7.229    149
   2885.13   7.220     80
   2882.93   7.214    276
   2880.62   7.208     84
   2875.61   7.196    233
   2874.27   7.192     94
   2869.38   7.180    478
   2868.65   7.178    532
   2868.04   7.177    626
   2865.84   7.171    159
   2862.55   7.163    281
   2861.94   7.162    315
   2861.21   7.160    397
   2860.60   7.158    371
   2859.86   7.156    299
   2857.79   7.151     61
   1583.50   3.963   1000

in CDCl3