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网站主页CAS数据库列表 141-76-4更多图谱3-碘丙酸(141-76-4)红外图谱(IR1)

3-碘丙酸

产品名称 3-碘丙酸

CAS号141-76-4

分子式C3H5IO2

分子量199.98

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  • Mass

    MS-NW-4975          
    3-iodopropionic acid
    C3H5IO2             (Mass of molecular ion:    200)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.8
          15.0       1.7
          18.0       2.9
          25.0       2.0
          26.0      14.0
          27.0      55.3
          28.0      18.6
          29.0      38.5
          30.0       1.0
          31.0       3.3
          32.0       1.7
          42.0       5.8
          43.0       8.8
          44.0       3.1
          45.0      36.1
          46.0       1.0
          53.0       1.3
          55.0      13.8
          56.0       1.0
          72.0       6.4
          73.0     100.0
          74.0       3.8
         127.0      17.3
         128.0      21.8
         141.0       1.3
         155.0       8.3
         200.0      30.8
         201.0       1.2
    

90 MHz in D2O

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C3 H5 I O2 0.044 g : 0.5 ml D2O
    3-iodopropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.340 B 3.056 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

        308.13   3.441    352
        306.38   3.421    406
        302.31   3.376    505
        300.69   3.358    682
        299.94   3.350    984
        294.88   3.293    928
        293.75   3.280    990
        279.25   3.119   1000
        278.13   3.106    899
        272.94   3.048    995
        272.31   3.041    668
        270.69   3.023    515
        266.63   2.978    419
        264.81   2.957    361
    


  • 1H NMR 399.65 MHz
    C3 H5 I O2 0.039 g : 0.5 ml DMSO-d6
    3-iodopropionic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.303 B 2.904

         Hz     ppm     Int.
    

       1327.04   3.321    456
       1320.26   3.304   1000
       1313.67   3.288    534
       1167.50   2.922    534
       1160.91   2.905    967
       1154.13   2.888    449
    

in DMSO-d6



KBr disc



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