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网站主页CAS数据库列表 42872-30-0更多图谱2-(3-苯甲酰基苯基)-丙腈(42872-30-0)质谱(MS)

2-(3-苯甲酰基苯基)-丙腈

产品名称 2-(3-苯甲酰基苯基)-丙腈

CAS号42872-30-0

分子式C16H13NO

分子量235.28

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  • Mass

    MS-IW-0781          
    2-(m-benzoylphenyl)propionitrile
    C16H13NO            (Mass of molecular ion:    235)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          50.0       1.1
          51.0       4.7
          76.0       1.5
          77.0      25.3
          78.0       2.1
         102.0       1.1
         103.0       6.5
         104.0       2.0
         105.0     100.0
         106.0       7.9
         128.0       1.1
         130.0       6.3
         158.0      32.0
         159.0       3.7
         181.0       8.0
         182.0       1.1
         202.0       1.6
         208.0       1.9
         235.0      50.3
         236.0       9.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C16 H13 N O 0.039 g : 0.5 ml CDCl3
    2-(m-benzoylphenyl)propionitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.79 B 7.78 C 7.735 D 7.63 E 7.62 F 7.52 G 7.48 J 3.994 K 1.681

         Hz     ppm     Int.
    

       3123.17   7.815     47
       3121.46   7.811    246
       3120.85   7.809    234
       3120.12   7.808    319
       3118.90   7.805    157
       3117.19   7.800    174
       3115.23   7.795    344
       3113.16   7.790    505
       3111.69   7.787    363
       3097.05   7.750    102
       3095.70   7.747    146
       3094.24   7.743     97
       3089.36   7.731    121
       3088.01   7.727    174
       3086.67   7.724    116
       3055.54   7.646    103
       3053.96   7.642    132
       3052.37   7.638    122
       3051.03   7.635    104
       3049.68   7.631     65
       3047.36   7.626    131
       3045.78   7.622    190
       3043.70   7.616    228
       3041.75   7.612     84
       3037.48   7.601     96
       3036.13   7.597    159
       3034.91   7.594     90
       3013.06   7.540    169
       3007.81   7.527     73
       3005.62   7.521    399
       3002.08   7.512     39
       2998.17   7.502    415
       2992.68   7.489     80
       2990.97   7.484    175
       2990.36   7.483    128
       2988.04   7.477     32
       2982.67   7.464     34
       2982.18   7.462     38
       1607.54   4.023     51
       1600.22   4.005    162
       1592.90   3.986    169
       1585.57   3.968     59
        675.42   1.691    992
        668.09   1.672   1000
    

in CDCl3



KBr disc



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