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网站主页CAS数据库列表 5205-11-8更多图谱苯甲酸3-甲基-2-丁烯酯(5205-11-8)核磁图(13CNMR)

苯甲酸3-甲基-2-丁烯酯

产品名称 苯甲酸3-甲基-2-丁烯酯

CAS号5205-11-8

分子式C12H14O2

分子量190.24

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  • Mass

    MS-IW-2172          
    3-methyl-2-butenyl benzoate
    C12H14O2            (Mass of molecular ion:    190)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       3.1
          29.0       1.8
          39.0       4.6
          40.0       2.6
          41.0      20.2
          42.0       2.0
          50.0       2.3
          51.0       8.0
          53.0       7.4
          67.0      19.8
          68.0      53.7
          69.0      30.8
          70.0       1.6
          76.0       1.1
          77.0      25.6
          78.0       2.2
          79.0       1.1
          85.0       6.7
         105.0     100.0
         106.0       8.1
         122.0       1.1
         123.0       3.2
         131.0       1.1
         145.0       1.0
         190.0       3.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H14 O2 0.05 ml : 0.5 ml CDCl3
    3-methyl-2-butenyl benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.047 B 7.493 C 7.389 D 5.464 E 4.815 F *1 1.76 G *1 1.74

         Hz     ppm     Int.
    

       3221.80   8.062     86
       3220.09   8.058    474
       3219.48   8.056    387
       3218.75   8.054    557
       3217.53   8.051    241
       3217.04   8.050    209
       3213.75   8.042    173
       3211.67   8.037    585
       3210.33   8.033    526
       3004.88   7.519     81
       3003.54   7.516    156
       3002.20   7.513     93
       2998.17   7.502    104
       2996.22   7.498    305
       2994.14   7.492    129
       2990.11   7.482    167
       2988.77   7.479    286
       2987.43   7.476    150
       2961.91   7.412    102
       2960.69   7.409    350
       2960.21   7.408    395
       2958.62   7.404    198
       2956.30   7.398     37
       2953.49   7.391    337
       2952.27   7.388    547
       2950.93   7.384    205
       2946.66   7.374    133
       2944.95   7.369    303
       2944.21   7.367    223
       2943.36   7.365    106
       2194.46   5.491     35
       2193.12   5.488     81
       2191.65   5.484    108
       2190.31   5.481     85
       2188.84   5.477     55
       2187.26   5.473     83
       2185.79   5.470    164
       2184.45   5.466    213
       2182.98   5.463    170
       2181.64   5.459     88
       2180.18   5.456     63
       2178.71   5.452     99
       2177.25   5.448    123
       2175.90   5.445     96
       2174.44   5.441     48
       1926.64   4.821    431
       1919.43   4.803    414
        704.96   1.764    969
        703.86   1.762    922
        698.85   1.749    982
        697.88   1.747   1000
    

in CDCl3



liquid film