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网站主页CAS数据库列表 51146-56-6更多图谱S-布洛芬(51146-56-6)核磁图(1HNMR)

S-布洛芬

产品名称 S-布洛芬

CAS号51146-56-6

分子式C13H18O2

分子量206.28

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  • Mass

    MS-KW-0519          
    (S)-(+)-2-(4-isobutylphenyl)propionic acid
    C13H18O2            (Mass of molecular ion:    206)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       5.9
          28.0       1.3
          29.0       3.0
          39.0       6.4
          41.0      13.7
          43.0      13.4
          45.0       1.1
          51.0       3.5
          53.0       1.7
          55.0       2.4
          57.0       5.5
          63.0       2.0
          64.0       1.1
          65.0       4.1
          77.0       6.1
          78.0       2.3
          79.0       3.0
          89.0       1.7
          91.0      48.7
          92.0       4.2
          93.0       1.4
         102.0       1.0
         103.0       4.2
         104.0       3.0
         105.0       8.9
         106.0       1.0
         107.0      29.8
         108.0       2.4
         115.0       7.2
         116.0       2.6
         117.0      19.9
         118.0      16.4
         119.0      42.1
         120.0       4.4
         128.0       1.8
         129.0       1.2
         131.0       2.0
         133.0       2.4
         145.0       3.5
         159.0       1.2
         161.0     100.0
         162.0      13.9
         163.0      93.5
         164.0      26.5
         165.0       2.7
         191.0       1.9
         206.0      50.1
         207.0       7.4
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13H18O2 0.039 g : 0.5 ml CDCl3
    (S)-(+)-2-(4-isobutylphenyl)propionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.210 B 7.092 C 3.695 D 2.437 E 1.835 F 1.489 G 0.890

         Hz     ppm     Int.
    

       2886.85   7.222    220
       2878.91   7.202    275
       2838.38   7.100    267
       2830.21   7.080    193
       1487.92   3.722     38
       1480.72   3.704    103
       1473.52   3.686    103
       1466.44   3.669     37
        977.91   2.447    264
        970.71   2.429    274
        747.56   1.870     35
        740.73   1.853     62
        734.01   1.837     76
        727.30   1.820     62
        720.59   1.803     34
        713.63   1.786     14
        598.52   1.498    467
        591.44   1.480    456
        420.29   1.052     10
        358.65   0.898   1000
        352.06   0.881    958
        295.54   0.740     11
    

in CDCl3



KBr disk



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