7116-96-3

對戊基聯(lián)苯(7116-96-3)質(zhì)譜(MS)

產(chǎn)品名稱:對戊基聯(lián)苯

CAS:7116-96-3

分子式:C17H20

分子量: 224.34

InChI:InChI=1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3

InChIKey: IFUOTAQBVGAZPR-UHFFFAOYSA-N

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

Mass

MS-IW-4105          
4-pentylbiphenyl
C17H20              (Mass of molecular ion:    224)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

     115.0       1.3
     128.0       1.1
     152.0       7.1
     153.0       1.8
     154.0       1.4
     165.0      11.8
     166.0       4.4
     167.0     100.0
     168.0      16.8
     169.0       1.3
     178.0       1.2
     181.0       1.1
     224.0      32.2
     225.0       6.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₂₀	0.05 ml : 0.5 ml CDCl₃
4-pentylbiphenyl

    Assign.     Shift(ppm)

      A             7.553
      B             7.481
      C             7.374
      D             7.275
      E             7.213
      F             2.608
      G             1.627
      J             1.33
      K             0.894

     Hz     ppm     Int.

   3023.93   7.567    494
   3022.71   7.564    569
   3020.63   7.559    174
   3017.33   7.550    238
   3016.48   7.548    330
   3015.50   7.546    645
   3014.89   7.544    498
   3014.28   7.543    575
   3012.33   7.538    103
   2996.58   7.499    118
   2994.51   7.493    671
   2992.55   7.488    250
   2988.16   7.477    282
   2986.21   7.473    771
   2984.13   7.467    142
   2956.67   7.399    108
   2955.69   7.396    259
   2954.96   7.394    374
   2953.13   7.390    144
   2947.63   7.376    674
   2946.41   7.373    342
   2941.41   7.360    209
   2939.82   7.356    405
   2939.33   7.355    352
   2937.87   7.352     88
   2914.92   7.294    167
   2913.70   7.291    297
   2912.35   7.288    173
   2908.20   7.277    139
   2906.25   7.272    335
   2904.30   7.268    111
   2900.15   7.257     94
   2898.93   7.254    160
   2897.71   7.251     88
   2888.55   7.228    128
   2886.60   7.223    667
   2884.52   7.218    237
   2880.13   7.207    225
   2878.66   7.203    505
   2878.05   7.202    579
   2876.10   7.197    112
   1050.29   2.629    324
   1042.60   2.609    398
   1034.67   2.589    348
    665.89   1.667     61
    663.57   1.661     44
    658.57   1.648    162
    656.62   1.643    134
    653.56   1.636    130
    650.88   1.629    215
    647.71   1.621    148
    645.39   1.615    125
    644.90   1.614    126
    643.31   1.610    164
    638.79   1.599     51
    635.74   1.591     68
    549.32   1.375     33
    544.92   1.364     73
    544.43   1.363     73
    540.28   1.352    173
    537.72   1.346    531
    534.06   1.337    440
    530.40   1.328    730
    527.22   1.320    336
    523.32   1.310    261
    520.26   1.302     88
    518.31   1.297     46
    517.21   1.295     49
    515.26   1.290     38
    366.94   0.919     60
    363.77   0.911    363
    361.33   0.905    197
    358.52   0.898    338
    356.81   0.893   1000
    351.56   0.880    211
    349.61   0.875    319
    347.05   0.869     70
    345.21   0.864     41
    344.48   0.862     40

in CDCl3