4-聯(lián)苯乙腈(31603-77-7)質(zhì)譜(MS)

產(chǎn)品名稱:4-聯(lián)苯乙腈

CAS:31603-77-7

分子式:C14H11N

分子量: 193.24

InChI:InChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2

InChIKey: HSZCNGTZJWZAMF-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=C(CC#N)C=C1

Mass

MS-IW-4868          
(4-biphenylyl)acetonitrile
C14H11N             (Mass of molecular ion:    193)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       1.2
      51.0       1.9
      63.0       2.2
      69.5       1.8
      75.0       1.2
      76.0       2.0
      77.0       2.0
      81.5       1.6
      82.0       4.7
      82.5       5.8
      83.0       2.4
      83.5       1.7
      89.0       1.6
      95.5       1.9
      96.5       4.4
     115.0       2.2
     116.0       1.9
     126.0       1.2
     127.0       1.0
     139.0       1.7
     140.0       1.1
     151.0       2.4
     152.0       7.6
     153.0       2.6
     163.0       1.8
     164.0       2.7
     165.0      27.9
     166.0       9.4
     167.0       2.8
     177.0       1.5
     178.0       2.3
     190.0       5.1
     191.0       3.0
     192.0      18.2
     193.0     100.0
     194.0      15.5
     195.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₁ N	0.041 g : 0.5 ml CDCl₃
(4-biphenylyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.58
      B             7.55
      C             7.434
      D             7.37
      E             7.36
      F             3.749

     Hz     ppm     Int.

   3036.25   7.598     90
   3034.18   7.593    528
   3032.10   7.587    206
   3027.59   7.576    566
   3026.12   7.572    893
   3025.63   7.571    871
   3024.17   7.568    211
   3020.14   7.557    242
   3019.17   7.555    522
   3018.55   7.553    398
   3017.94   7.552    471
   3015.87   7.547     87
   2981.08   7.460     87
   2980.22   7.458    196
   2979.25   7.455    291
   2977.42   7.451    120
   2974.12   7.442    123
   2973.51   7.441    151
   2972.66   7.439    352
   2972.05   7.437    602
   2970.58   7.433    272
   2968.51   7.428     44
   2965.82   7.422    182
   2964.36   7.418    312
   2963.75   7.416    259
   2962.16   7.412     65
   2955.20   7.395     32
   2952.88   7.389    111
   2951.54   7.386    295
   2950.93   7.384    534
   2950.32   7.383    439
   2948.73   7.379    204
   2947.75   7.376    211
   2946.41   7.373    308
   2945.07   7.370    249
   2944.34   7.368    203
   2943.60   7.366    237
   2942.99   7.364    379
   2942.26   7.363    462
   2941.65   7.361    262
   2940.19   7.357    124
   2939.45   7.356    252
   2938.96   7.354    274
   2936.77   7.349     91
   2932.98   7.339     74
   2931.76   7.336    119
   2930.42   7.333     67
   1498.41   3.750   1000

in CDCl3