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网站主页CAS数据库列表 38690-76-5更多图谱4-庚基苯甲酸-4-氰基苯基酯(38690-76-5)红外图谱(IR2)

4-庚基苯甲酸-4-氰基苯基酯

产品名称 4-庚基苯甲酸-4-氰基苯基酯

CAS号38690-76-5

分子式C21H23NO2

分子量321.41


  • Mass

    MS-IW-4907          
    p-cyanophenyl p-heptylbenzoate
    C21H23NO2           (Mass of molecular ion:    321)
    

       Source Temperature: 150 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          29.0       1.1
          41.0       1.8
          43.0       2.1
          55.0       1.5
          65.0       1.0
          77.0       1.3
          89.0       1.5
          90.0       5.0
          91.0      11.3
         103.0       1.4
         104.0       1.3
         105.0       1.2
         118.0       4.2
         131.0       3.2
         203.0     100.0
         204.0      15.5
         205.0       1.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C21 H23 N O2 0.039 g : 0.5 ml CDCl3
    p-cyanophenyl p-heptylbenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.095 B 7.729 C 7.358 D 7.332 E 2.704 F 1.650 G 1.33 J 1.28 K 0.885

         Hz     ppm     Int.
    

       3241.46   8.111    103
       3239.62   8.107    600
       3237.79   8.102    204
       3233.03   8.090    212
       3231.20   8.086    639
       3229.37   8.081    106
       3096.07   7.747    101
       3093.75   7.742    768
       3091.67   7.736    246
       3086.91   7.725    267
       3084.84   7.719    855
       3082.40   7.713    120
       2947.63   7.376    120
       2945.19   7.370    877
       2943.12   7.365    263
       2940.67   7.359     46
       2938.35   7.353    275
       2936.28   7.348    852
       2934.45   7.343    570
       2933.96   7.342    536
       2927.86   7.327    183
       2925.90   7.322    502
       1088.75   2.725    237
       1081.30   2.706    310
       1073.36   2.686    256
        676.51   1.693     35
        669.07   1.675    114
        661.50   1.656    159
        657.10   1.645     98
        655.52   1.641    106
        653.93   1.637    127
        646.61   1.618     47
        540.65   1.353    153
        537.11   1.344    280
        533.33   1.335    424
        529.42   1.325    386
        526.61   1.318    294
        523.68   1.311    233
        517.21   1.295    278
        513.31   1.285    310
        512.21   1.282    327
        507.57   1.271    241
        500.12   1.252     69
        495.61   1.241     36
        361.08   0.904    297
        354.25   0.887   1000
        347.17   0.869    348
    

in CDCl3



KBr disc



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