1008-88-4

3-苯基吡啶(1008-88-4)核磁图(¹³CNMR)

产品名称:3-苯基吡啶

CAS:1008-88-4

分子式:C11H9N

分子量: 155.2

InChI:InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H

InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1C1=CC=CC=C1

Mass

MS-NW-8385          
3-phenylpyridine
C11H9N              (Mass of molecular ion:    155)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       1.2
      39.0       2.7
      50.0       4.7
      51.0       9.3
      52.0       2.6
      62.0       1.7
      63.0       4.9
      64.0       5.0
      74.0       3.2
      75.0       3.5
      76.0       5.1
      77.0       5.6
      77.5       1.8
      78.0       2.3
      87.0       1.1
      89.0       1.1
     101.0       2.2
     102.0      10.0
     103.0       1.4
     115.0       2.9
     126.0       3.7
     127.0      11.3
     128.0       9.6
     129.0       2.9
     140.0       1.3
     153.0       2.2
     154.0      38.9
     155.0     100.0
     156.0      12.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₉ N	0.05 ml : 0.5 ml CDCl₃
3-phenylpyridine

    Assign.     Shift(ppm)

      A             8.836
      B             8.565
      C             7.817
      D             7.537
      E             7.439
      F             7.372
      G             7.306

     Hz     ppm     Int.

   3532.47   8.839    321
   3530.88   8.835    326
   3425.05   8.571    232
   3421.39   8.561    235
   3420.41   8.559    228
   3130.25   7.833    245
   3128.54   7.829    296
   3127.93   7.827    289
   3126.22   7.823    243
   3122.31   7.813    271
   3120.61   7.809    317
   3120.00   7.807    318
   3118.29   7.803    258
   3018.43   7.553    523
   3016.97   7.550    781
   3015.01   7.545    215
   3011.35   7.535    410
   3010.01   7.532    887
   3009.52   7.531    757
   3008.79   7.529    827
   3006.71   7.524    128
   2981.45   7.461    299
   2980.35   7.458    505
   2978.52   7.453    177
   2973.14   7.440   1000
   2971.68   7.436    484
   2969.48   7.431     50
   2967.04   7.425    276
   2965.58   7.421    534
   2963.50   7.416     92
   2953.00   7.389    248
   2951.66   7.386    458
   2950.32   7.383    251
   2946.66   7.374    165
   2944.34   7.368    473
   2941.89   7.362    115
   2938.35   7.353    103
   2937.01   7.349    171
   2935.79   7.346     90
   2926.51   7.323    268
   2925.90   7.322    269
   2921.75   7.311    272
   2921.02   7.309    271
   2918.70   7.304    261
   2917.97   7.302    260
   2913.82   7.291    251
   2913.09   7.290    247

in CDCl3