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返回ChemicalBook首页>CAS数据库列表>103-93-5更多图谱> 2-甲基丙酸4-甲基苯酯(103-93-5)核磁图(13CNMR)

103-93-5

2-甲基丙酸4-甲基苯酯(103-93-5)核磁图(13CNMR)

分子式:C11H14O2

分子量: 178.23

InChI:InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3

InChIKey: UPPSFGGDKACIKP-UHFFFAOYSA-N

Smiles:C(OC1=CC=C(C)C=C1)(=O)C(C)C

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    Mass

    MS-NW-9449          
    p-tolyl isobutyrate
    C11H14O2            (Mass of molecular ion:    178)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       5.1
          39.0       3.7
          41.0       5.5
          42.0       2.4
          43.0      52.3
          44.0       1.8
          51.0       2.5
          52.0       1.6
          53.0       1.9
          55.0       1.1
          65.0       2.4
          70.0       7.8
          71.0      16.0
          77.0       7.8
          78.0       2.0
          79.0       4.8
          80.0       3.5
          90.0       2.7
          91.0       4.2
         107.0      22.7
         108.0     100.0
         109.0       8.1
         178.0      13.7
         179.0       1.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C11 H14 O2 0.05 ml : 0.5 ml CDCl3
    p-tolyl isobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.132 B 6.933 C 2.759 D 2.306 E 1.287

         Hz     ppm     Int.
    

       2857.67   7.151     31
       2855.71   7.146    182
       2854.98   7.144    196
       2853.64   7.141     87
       2852.78   7.139     69
       2849.12   7.130     79
       2846.92   7.124    232
       2846.31   7.123    210
       2844.36   7.118     44
       2843.63   7.116     37
       2777.47   6.950     45
       2774.78   6.944    309
       2772.83   6.939    103
       2768.31   6.927     95
       2766.36   6.922    256
       2763.67   6.916     38
       1116.94   2.795     51
       1109.86   2.778    125
       1102.91   2.760    167
       1095.95   2.743    128
       1088.87   2.725     55
        921.88   2.307    622
        523.44   1.310     31
        517.94   1.296   1000
        515.50   1.290     79
        510.99   1.279    971
        505.49   1.265     39
    

in CDCl3

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liquid film

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