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网站主页CAS数据库列表 3130-87-8更多图谱DL-天冬酰胺一水物(3130-87-8)核磁图(1HNMR)

DL-天冬酰胺一水物

产品名称 DL-天冬酰胺一水物

CAS号3130-87-8

分子式C4H8N2O3

分子量132.12

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  • Mass

    MS-NW-0335          
    DL-asparagine
    C4H8N2O3 H2O        (Mass of molecular ion:    132)
    

       Source Temperature: 170 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          15.0       4.3
          16.0       2.7
          17.0       6.4
          18.0      27.4
          26.0       2.3
          27.0       5.8
          28.0      22.7
          29.0       2.6
          30.0       9.0
          36.0       1.4
          39.0       2.7
          40.0       4.2
          41.0      11.6
          42.0      26.9
          43.0      34.5
          44.0      58.0
          45.0       6.4
          46.0       2.9
          53.0       1.3
          54.0       1.2
          55.0       3.7
          56.0       1.5
          57.0       3.8
          59.0      16.9
          60.0       2.4
          64.0       1.3
          65.0       1.3
          67.0       1.2
          68.0       1.3
          69.0       3.6
          70.0      28.3
          71.0       2.7
          72.0       3.1
          73.0       3.2
          74.0       6.6
          83.0       1.8
          84.0       1.7
          85.0       1.7
          86.0      12.1
          87.0     100.0
          88.0       5.7
          92.0       3.3
          97.0       1.6
         114.0       8.2
         115.0       2.7
         120.0       5.2
         138.0       3.2
    

90 MHz in D2O


  • 1H NMR 89.56 MHz
    C4 H8 N2 O3 0.047 g : 0.5 ml D2O
    DL-asparagine
    ChemicalStructure
        Assign.     Shift(ppm)
    B 4.013 C *1 2.94 D *1 2.89 J(B,C)=5.1HZ J(B,D)=7.0HZ J(C,D)=-17.0HZ THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

        365.81   4.085    399
        364.13   4.066     65
        363.38   4.058     71
        360.75   4.029    492
        358.94   4.008    574
        357.06   3.987     82
        356.63   3.983     88
        356.19   3.978     93
        353.88   3.952    516
        352.06   3.931     71
        351.63   3.927     57
        351.06   3.920     55
        276.13   3.084     64
        264.25   2.951   1000
        263.31   2.941    924
        261.19   2.917    216
        259.19   2.895    750
        256.31   2.862    722
        253.69   2.833     87
        252.19   2.816     56
        251.38   2.807     50
        246.38   2.752     53
        239.44   2.674     64
    

in D2O



KBr disc



nujol mull



4880 A,200 M,powder