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网站主页CAS数据库列表 15687-27-1更多图谱布洛芬(15687-27-1)核磁图(13CNMR)

布洛芬

产品名称 布洛芬

CAS号15687-27-1

分子式C13H18O2

分子量206.28

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  • Mass

    MS-IW-2149          
    2-(p-isobutylphenyl)propionic acid
    C13H18O2            (Mass of molecular ion:    206)
    

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

          18.0       1.5
          27.0       3.7
          29.0       1.8
          39.0       4.4
          41.0       9.2
          43.0       9.5
          45.0       1.0
          51.0       2.7
          53.0       1.4
          55.0       1.8
          57.0       3.6
          63.0       2.0
          65.0       3.5
          77.0       6.3
          78.0       2.4
          79.0       2.9
          89.0       1.9
          91.0      46.7
          92.0       4.2
          93.0       1.4
         102.0       1.3
         103.0       4.9
         104.0       3.6
         105.0       9.3
         106.0       1.0
         107.0      28.1
         108.0       2.2
         115.0       8.8
         116.0       3.2
         117.0      25.3
         118.0      19.6
         119.0      44.3
         120.0       4.7
         128.0       2.6
         129.0       1.5
         131.0       2.5
         133.0       2.1
         145.0       5.5
         146.0       1.0
         159.0       1.3
         161.0      96.9
         162.0      13.2
         163.0     100.0
         164.0      23.7
         165.0       2.3
         177.0       1.6
         191.0       1.9
         206.0      45.9
         207.0       6.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H18 O2 0.047 g : 0.5 ml CDCl3
    2-(p-isobutylphenyl)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.213 B 7.094 C 3.695 D 2.438 E 1.835 F 1.486 G 0.889

         Hz     ppm     Int.
    

       2886.89   7.224    502
       2879.38   7.205    527
       2838.90   7.104    508
       2830.84   7.084    377
       1487.68   3.723     25
       1480.53   3.705     80
       1473.39   3.687     82
       1466.25   3.669     28
        978.11   2.448    260
        970.97   2.430    276
        747.50   1.871     28
        740.73   1.854     55
        733.95   1.837     69
        727.35   1.820     56
        720.39   1.803     29
        597.86   1.496    438
        590.53   1.478    431
        358.82   0.898   1000
        352.23   0.882    979
    

in CDCl3



KBr disc



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