10477-94-8

3-甲基-5-苯基吡啶(10477-94-8)核磁图(¹³CNMR)

产品名称:3-甲基-5-苯基吡啶

CAS:10477-94-8

分子式:C12H11N

分子量: 169.22

InChI:InChI=1S/C12H11N/c1-10-7-12(9-13-8-10)11-5-3-2-4-6-11/h2-9H,1H3

InChIKey: VPFKZMSXKPTQJG-UHFFFAOYSA-N

Smiles:C1=NC=C(C2=CC=CC=C2)C=C1C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4779          
3-methyl-5-phenylpyridine
C12H11N             (Mass of molecular ion:    169)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      39.0       2.5
      50.0       1.4
      51.0       2.6
      52.0       1.0
      57.5       1.9
      63.0       2.8
      65.0       1.3
      69.5       1.3
      70.0       1.9
      70.5       1.6
      71.0       4.3
      74.0       1.2
      75.0       1.3
      76.0       2.3
      77.0       2.5
      83.5       1.4
      84.5       2.2
      89.0       1.6
      91.0       1.3
     102.0       4.6
     115.0       9.2
     116.0       1.8
     126.0       1.1
     127.0       2.7
     128.0       1.9
     139.0       3.2
     140.0       1.6
     141.0      12.5
     142.0       3.7
     143.0       1.0
     153.0       1.5
     154.0       5.4
     166.0       1.7
     167.0      11.4
     168.0      31.4
     169.0     100.0
     170.0      13.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₁₁ N	0.05 ml : 0.5 ml CDCl₃
3-methyl-5-phenylpyridine

    Assign.     Shift(ppm)

      A             8.634
      B             8.390
      C             7.597
      D             7.508
      E             7.406
      F             7.341
      G             2.324

     Hz     ppm     Int.

   3451.42   8.637    234
   3449.58   8.632    233
   3354.49   8.394    213
   3353.88   8.393    228
   3352.42   8.389    226
   3351.81   8.387    215
   3038.94   7.605    143
   3038.21   7.603    159
   3036.74   7.599    241
   3036.01   7.597    238
   3034.67   7.594    149
   3033.94   7.592    131
   3007.20   7.525    254
   3005.74   7.521    346
   3003.66   7.516    108
   2999.76   7.506    204
   2998.78   7.504    388
   2997.56   7.501    351
   2995.36   7.495     72
   2969.24   7.430    144
   2968.14   7.427    227
   2966.31   7.423     87
   2960.94   7.409    420
   2959.47   7.406    220
   2954.83   7.394    134
   2953.37   7.390    236
   2951.17   7.385     56
   2940.80   7.359    112
   2939.33   7.355    199
   2937.99   7.352    116
   2934.33   7.343     80
   2932.01   7.337    208
   2929.69   7.331     59
   2926.15   7.322     51
   2924.80   7.319     81
   2923.46   7.316     46
    929.08   2.325   1000
    928.34   2.323    941

in CDCl3