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84-15-1

邻二苯基苯(84-15-1)质谱(MS)

产品名称:邻二苯基苯

CAS:84-15-1

分子式:C18H14

分子量: 230.3

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

InChIKey: OIAQMFOKAXHPNH-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2C2=CC=CC=C2)=CC=CC=C1

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    Mass

    MS-NW-8149          
    o-terphenyl
    C18H14              (Mass of molecular ion:    230)
    

       Source Temperature: 120 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          88.0       1.7
          94.5       1.6
         100.0       2.0
         101.0       6.0
         101.5       1.1
         107.5       3.6
         112.0       1.2
         112.5       1.0
         113.0       6.4
         113.5       2.3
         114.0       8.2
         114.5       2.6
         115.0       3.1
         151.0       1.1
         152.0       1.3
         165.0       1.7
         176.0       1.0
         189.0       1.5
         200.0       1.9
         201.0       1.8
         202.0       7.2
         203.0       2.7
         213.0       1.5
         215.0      22.9
         216.0       4.3
         224.0       1.3
         225.0       1.5
         226.0      11.5
         227.0       9.3
         228.0      24.4
         229.0      47.1
         230.0     100.0
         231.0      18.8
         232.0       1.7
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C18 H14 0.027 g : 0.5 ml CDCl3
    o-terphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.45 to 7.35 B 7.32 to 6.97

         Hz     ppm     Int.
    

        665.56   7.432     30
        663.50   7.409    952
        661.44   7.386     52
        651.81   7.278     28
        650.06   7.259     27
        648.44   7.241     26
        645.50   7.208     90
        643.75   7.188    201
        643.31   7.184    195
        641.94   7.168   1000
        640.00   7.147    240
        639.38   7.140    151
        638.75   7.133    130
        638.31   7.128    148
        636.88   7.112     42
        636.44   7.107     42
        634.81   7.089     29
        633.69   7.076     24
        632.69   7.065     35
        631.63   7.053     24
    

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    1H NMR 399.65 MHz
    C18 H14 26.9 mg : 0.5 ml CDCl3
    o-terphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.43 B 7.41 C 7.20 D 7.19 E 7.14 CONFIRMED BY LAOCN PROGRAM

         Hz     ppm     Int.
    

       2975.34   7.445    138
       2972.78   7.439     82
       2971.19   7.435    121
       2970.46   7.433    163
       2968.14   7.427    352
       2966.31   7.423   1000
       2965.82   7.422    781
       2963.99   7.417    856
       2963.50   7.416    913
       2961.55   7.411    314
       2959.23   7.405    196
       2958.62   7.404    136
       2957.03   7.400     98
       2954.47   7.393    154
       2952.15   7.387     33
       2889.28   7.230     85
       2887.33   7.225     68
       2885.38   7.220    169
       2883.79   7.216    135
       2882.32   7.213    246
       2880.62   7.208    465
       2880.25   7.207    447
       2879.39   7.205    390
       2878.54   7.203    350
       2876.95   7.199    344
       2875.98   7.197    444
       2875.37   7.195    548
       2874.51   7.193    926
       2873.41   7.190    939
       2872.92   7.189   1000
       2872.19   7.187    666
       2870.48   7.183    272
       2869.51   7.181    297
       2869.02   7.179    276
       2867.80   7.176    230
       2865.36   7.170     69
       2863.28   7.165    113
       2862.06   7.162     56
       2861.33   7.160     85
       2860.47   7.158     93
       2858.28   7.152    184
       2856.69   7.148    830
       2855.47   7.145    281
       2854.13   7.142    481
       2853.76   7.141    469
       2851.93   7.137    331
       2850.95   7.134    267
       2849.12   7.130    521
       2847.17   7.125    491
       2845.09   7.119     65
       2844.12   7.117     62
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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ANION RADICAL, REDUCTION WITH LI OR NA METAL

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