92-06-8

間三聯(lián)苯(92-06-8)核磁圖(¹HNMR)

產(chǎn)品名稱:間三聯(lián)苯

CAS:92-06-8

分子式:C18H14

分子量: 230.3

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

InChIKey: YJTKZCDBKVTVBY-UHFFFAOYSA-N

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

Mass

MS-NW-8176          
m-terphenyl
C18H14              (Mass of molecular ion:    230)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      51.0       1.4
      63.0       1.1
      75.0       1.0
      76.0       1.5
      77.0       1.1
      88.0       1.7
      89.0       1.2
      94.5       1.0
     100.0       1.2
     101.0       4.5
     102.0       1.2
     107.5       1.3
     113.0       3.3
     113.5       1.1
     114.0       2.6
     115.0       9.1
     115.5       1.5
     128.0       1.6
     151.0       2.0
     152.0       3.8
     153.0       1.7
     189.0       1.2
     202.0       4.2
     203.0       1.6
     215.0       3.5
     226.0       5.2
     227.0       4.7
     228.0      11.8
     229.0      10.4
     230.0     100.0
     231.0      19.6
     232.0       1.7

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₄	16.4 mg : 0.5 ml CDCl₃
m-terphenyl

    Assign.     Shift(ppm)

      A             7.808
      B             7.647
      C             7.572
      D             7.512
      E             7.458
      F             7.370
     
     J(A,C)=2.1HZ. J(A,D)=0.7HZ.

     Hz     ppm     Int.

   3122.68   7.814    180
   3122.19   7.813    185
   3120.85   7.809    358
   3120.36   7.808    329
   3119.02   7.805    223
   3118.53   7.804    184
   3068.97   7.680     30
   3068.12   7.678     34
   3066.04   7.672     41
   3065.43   7.671     44
   3061.52   7.661    655
   3060.18   7.658    862
   3058.11   7.652    331
   3053.96   7.642    441
   3053.10   7.640    930
   3052.37   7.638    716
   3051.88   7.637    779
   3050.90   7.634    240
   3049.80   7.632    226
   3033.08   7.590    203
   3031.37   7.586    351
   3029.54   7.581    227
   3028.08   7.577     42
   3027.71   7.576     42
   3025.02   7.570    441
   3024.41   7.568    449
   3023.19   7.565    456
   3022.58   7.564    419
   3008.18   7.528    297
   3007.69   7.526    261
   3001.71   7.511    194
   3001.22   7.510    177
   2999.51   7.506    145
   2998.90   7.504    126
   2993.04   7.490    124
   2992.55   7.488    113
   2990.36   7.483    152
   2989.38   7.480    354
   2988.53   7.478    491
   2986.82   7.474    209
   2981.32   7.460   1000
   2980.10   7.457    523
   2975.10   7.445    305
   2973.51   7.441    567
   2971.56   7.436    130
   2952.51   7.388    223
   2951.17   7.385    404
   2949.95   7.382    227
   2945.80   7.371    178
   2943.85   7.367    433
   2941.77   7.361    152
   2937.74   7.351    126
   2936.52   7.348    192
   2935.18   7.345    103
   2934.20   7.342     34

¹H NMR	89.56 MHz
C₁₈ H₁₄	0.016 g : 0.5 ml CDCl₃
m-terphenyl

    Assign.     Shift(ppm)

      A             7.80
      B             7.64
      C          7.58 to 7.23

     Hz     ppm     Int.

    700.88   7.826    115
    699.63   7.812    206
    698.94   7.805    184
    698.38   7.798    269
    697.38   7.787    187
    696.63   7.779    173
    690.06   7.706    278
    687.88   7.681    306
    686.50   7.666    736
    685.56   7.655    222
    684.56   7.644    238
    684.00   7.638    282
    682.69   7.623    258
    681.94   7.615    755
    680.06   7.594    899
    678.06   7.572    264
    676.81   7.558    690
    676.44   7.553    670
    675.13   7.539   1000
    674.25   7.529    508
    673.56   7.521    306
    672.94   7.514    389
    671.88   7.503    248
    671.31   7.496    322
    668.63   7.466    615
    667.75   7.456    669
    665.94   7.436    322
    664.50   7.420    393
    662.00   7.392    866
    660.56   7.376    799
    657.13   7.338    199
    655.63   7.321    146

in CDCl3