605-02-7

1-苯基萘(605-02-7)質(zhì)譜(MS)

產(chǎn)品名稱:1-苯基萘

CAS:605-02-7

分子式:C16H12

分子量: 204.27

InChI:InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H

InChIKey: IYDMICQAKLQHLA-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=C2C(C=CC=C2)=CC=C1

Mass

MS-NW-3092          
1-phenylnaphthalene
C16H12              (Mass of molecular ion:    204)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      39.0       1.1
      50.0       1.1
      51.0       1.8
      63.0       1.9
      74.0       1.4
      75.0       2.4
      76.0       2.9
      87.0       1.6
      88.0       4.6
      89.0       5.0
      94.0       1.1
     100.0       3.8
     101.0      15.9
     102.0       3.7
     126.0       1.1
     150.0       1.5
     151.0       1.5
     152.0       1.5
     163.0       1.1
     165.0       1.2
     175.0       1.0
     176.0       2.3
     189.0       2.0
     200.0       5.4
     201.0       6.2
     202.0      37.0
     203.0      68.5
     204.0     100.0
     205.0      16.4
     206.0       1.3
     208.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₁₂	0.05 ml : 0.5 ml CDCl₃
1-phenylnaphthalene

    Assign.     Shift(ppm)

      A     *1      7.887
      B     *1      7.824
      C             7.776
      D             7.45
      E             7.44
      F             7.41
      G             7.41
      J             7.37
      K             7.35
      L             7.35
     
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   3157.35   7.901    214
   3156.74   7.899    215
   3156.13   7.898    216
   3155.27   7.896    125
   3148.93   7.880    224
   3148.32   7.878    245
   3147.71   7.877    230
   3131.96   7.837    208
   3130.49   7.834    226
   3123.78   7.817    212
   3123.05   7.815    239
   3122.44   7.813    236
   3112.18   7.788    247
   3104.00   7.767    274
   2983.52   7.466     44
   2981.20   7.460    304
   2979.98   7.457    379
   2979.49   7.456    410
   2978.39   7.453    161
   2977.17   7.450    159
   2972.90   7.439   1000
   2971.92   7.437    619
   2971.31   7.435    692
   2969.36   7.430    238
   2968.38   7.428    506
   2967.29   7.425    611
   2964.84   7.419    444
   2961.30   7.410    611
   2960.33   7.408    960
   2958.62   7.404    410
   2954.47   7.393    220
   2953.37   7.390    456
   2952.39   7.388    392
   2950.93   7.384    111
   2949.83   7.382     68
   2947.75   7.376    410
   2946.41   7.373    433
   2944.70   7.369    429
   2942.99   7.364    508
   2941.04   7.360    329
   2939.33   7.355    307
   2938.11   7.352    205
   2936.52   7.348    492
   2934.94   7.344    306
   2933.11   7.340    126
   2930.54   7.333    103
   2929.57   7.331    179
   2928.10   7.327    164
   2927.37   7.325    100

in CDCl3