92-94-4

對三聯苯(92-94-4)紅外圖譜(IR2)

產品名稱:對三聯苯

CAS:92-94-4

分子式:C18H14

分子量: 230.3

InChI:InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H

InChIKey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(C3=CC=CC=C3)C=C2)=CC=CC=C1

Mass

MS-NW-0271          
p-terphenyl
C18H14              (Mass of molecular ion:    230)

   Source Temperature: 160 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      18.0       1.6
      41.0       1.2
      43.0       1.4
      51.0       1.1
      55.0       1.3
      57.0       1.2
      69.0       1.6
      76.0       1.2
      77.0       1.1
      88.0       1.3
      89.0       1.2
     101.0       2.9
     102.0       1.1
     113.0       2.1
     114.0       1.4
     115.0       9.5
     115.5       1.6
     128.0       1.5
     151.0       1.8
     152.0       3.5
     153.0       1.5
     189.0       1.2
     202.0       3.8
     203.0       1.4
     215.0       2.1
     226.0       4.0
     227.0       3.7
     228.0       9.7
     229.0       6.9
     230.0     100.0
     231.0      19.5
     232.0       1.8

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₁₄	0.011 g : 0.5 ml CDCl₃
p-terphenyl

    Assign.     Shift(ppm)

      A             7.670
      B             7.66
      C          7.58 to 7.29

     Hz     ppm     Int.

    689.94   7.704     54
    689.38   7.698     41
    686.94   7.671   1000
    685.56   7.655     62
    684.25   7.641     54
    683.63   7.634     64
    681.75   7.613    141
    679.88   7.592    152
    677.31   7.563     39
    676.88   7.558     41
    673.06   7.516     63
    668.75   7.468    126
    667.88   7.458    125
    666.75   7.445     39
    666.00   7.437     56
    664.19   7.417     72
    661.88   7.391    149
    660.56   7.376    133
    659.81   7.368     91
    656.81   7.334     43

¹H NMR	399.65 MHz
C₁₈ H₁₄	10.7 mg : 0.5 ml CDCl₃
p-terphenyl

    Assign.     Shift(ppm)

      A             7.680
      B             7.646
      C             7.460
      D             7.365

     Hz     ppm     Int.

   3069.34   7.681   1000
   3061.04   7.660    145
   3059.69   7.656    190
   3057.62   7.651     62
   3053.71   7.641    100
   3052.61   7.639    202
   3051.39   7.636    174
   3049.44   7.631     39
   2991.09   7.485     30
   2990.11   7.482     77
   2989.38   7.480    109
   2987.67   7.476     44
   2982.18   7.462    217
   2980.83   7.459    108
   2975.83   7.447     64
   2974.37   7.443    126
   2950.81   7.384     48
   2949.58   7.381     88
   2948.24   7.378     52
   2944.09   7.367     39
   2942.14   7.362    102
   2940.19   7.357     35
   2934.81   7.344     45

in CDCl3