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网站主页CAS数据库列表 2861-28-1更多图谱胡椒乙酸(2861-28-1)核磁图(1HNMR)

胡椒乙酸

产品名称 胡椒乙酸

CAS号2861-28-1

分子式C9H8O4

分子量180.16

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  • Mass

    MS-IW-2681          
    (1,3-benzodioxol-5-yl)acetic acid
    C9H8O4              (Mass of molecular ion:    180)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          18.0       4.1
          27.0       1.1
          38.0       1.4
          39.0       3.0
          44.0       1.0
          45.0       1.2
          50.0       4.2
          51.0      13.9
          52.0       1.6
          53.0       1.9
          63.0       1.4
          65.0       1.7
          67.0       3.2
          74.0       1.1
          75.0       1.2
          76.0       1.9
          77.0      20.1
          78.0       2.9
          79.0       3.7
         105.0       7.9
         106.0       1.3
         134.0       1.0
         135.0     100.0
         136.0       9.0
         179.0       1.5
         180.0      38.1
         181.0       3.9
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H8 O4 0.040 g : 0.5 ml CDCl3
    (1,3-benzodioxol-5-yl)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 6.771 C 6.759 D 6.712 E 5.938 F 3.552

         Hz     ppm     Int.
    

       2707.38   6.775    187
       2705.55   6.770    288
       2697.31   6.750    285
       2685.95   6.721    142
       2684.30   6.717    125
       2678.08   6.702     63
       2676.43   6.697     59
       2373.11   5.938   1000
       1419.54   3.552    409
    

in CDCl3



KBr disc



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