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单硬脂酸甘油酯

CAS号123-94-4

分子式C21H42O4

分子量358.56

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  • Mass

    MS2014-05080CW      
    alpha-monostearin
    C21H42O4            (Mass of molecular ion:    358)
    

       Source Temperature: 250 °C
       Sample Temperature:  25 °C
       Direct, 70 eV
    

          19.0       1.8
          27.0       3.8
          28.0       1.9
          29.0      13.8
          31.0       3.4
          39.0       2.8
          41.0      30.6
          42.0       7.2
          43.0      52.7
          44.0       5.3
          45.0       6.2
          53.0       1.8
          54.0       4.0
          55.0      43.3
          56.0      12.8
          57.0      55.2
          58.0       4.0
          59.0       2.5
          60.0       8.7
          61.0       9.8
          67.0       9.3
          68.0       5.9
          69.0      33.2
          70.0       8.2
          71.0      32.0
          72.0       2.2
          73.0      16.1
          74.0      58.7
          75.0      20.0
          79.0       2.4
          80.0       1.8
          81.0      11.2
          82.0       6.8
          83.0      26.1
          84.0      54.7
          85.0      22.1
          86.0       2.1
          87.0      14.9
          88.0       1.6
          93.0       5.9
          94.0       2.1
          95.0      14.2
          96.0       6.1
          97.0      22.1
          98.0     100.0
          99.0       9.7
         100.0       2.4
         101.0       4.7
         102.0       1.1
         107.0       2.1
         108.0       1.5
         109.0       8.7
         110.0       3.2
         111.0      15.0
         112.0      34.9
         113.0       5.3
         114.0       1.3
         115.0       4.0
         116.0      17.7
         117.0       2.6
         121.0       4.0
         122.0       1.4
         123.0       4.8
         124.0       2.2
         125.0       7.1
         126.0       7.5
         127.0       2.4
         129.0      15.8
         130.0       1.8
         134.0      57.9
         135.0       5.5
         136.0       1.2
         137.0       2.6
         138.0       1.8
         139.0       3.6
         140.0       5.2
         141.0       1.7
         143.0       5.3
         147.0      10.5
         149.0       2.0
         151.0       1.2
         152.0       1.3
         153.0       2.5
         154.0      12.2
         155.0       2.2
         157.0       1.7
         163.0       1.1
         166.0       1.1
         167.0       2.2
         168.0       6.3
         169.0       1.4
         171.0       2.9
         176.0       4.2
         181.0       1.9
         182.0       6.0
         183.0       1.3
         185.0       5.5
         190.0       1.3
         195.0       2.1
         196.0       4.2
         199.0       2.7
         209.0       1.8
         210.0       6.3
         211.0       5.6
         213.0       2.4
         223.0       1.6
         224.0       2.6
         225.0       1.1
         227.0       3.0
         228.0       1.0
         229.0       1.6
         237.0       1.6
         238.0       6.9
         239.0      49.9
         240.0       8.7
         241.0       4.1
         242.0       1.2
         253.0       1.5
         255.0       2.6
         256.0       7.1
         257.0      15.8
         258.0       2.7
         265.0       1.2
         266.0      10.7
         267.0      53.1
         268.0      10.3
         269.0       2.2
         270.0       6.3
         271.0       2.4
         284.0      10.5
         285.0      17.5
         286.0       3.3
         297.0       1.4
         298.0       7.4
         299.0      10.4
         300.0       2.0
         313.0       1.0
         327.0      10.4
         328.0       2.3
         340.0       1.2
    

90 MHz in CDCl3

400 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C21 H42 O4 0.050 g : 0.5 ml CDCl3
    alpha-monostearin
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.15 B *1 4.14 C 3.92 D *2 3.69 E *2 3.58 F 3.10 G 2.420 J 1.62 K 1.26 L 0.887

         Hz     ppm     Int.
    

        375.38   4.192     25
        374.44   4.181     27
        369.63   4.128     72
        328.69   3.671     25
        326.50   3.646     32
        325.38   3.634     22
        325.25   3.632     22
        277.44   3.098     79
        210.25   2.348     29
        202.88   2.266     23
        112.69   1.259   1000
         84.31   0.942     24
         78.75   0.880     56
    


  • 1H NMR 399.65 MHz
    C21 H42 O4 0.040 g : 0.5 ml CDCl3
    alpha-monostearin
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.167 B *1 4.148 C 3.924 D *2 3.689 E *2 3.591 F *3 3.2 G *3 2.9 J 2.345 K 1.621 L 1.29 M 1.26 N 0.879

         Hz     ppm     Int.
    

       1666.50   4.170     73
       1662.48   4.160     82
       1661.50   4.158     89
       1656.62   4.146     77
       1471.92   3.684     45
       1468.14   3.674     41
       1442.75   3.611     45
       1436.77   3.596     43
       1431.15   3.582     30
        944.95   2.365     67
        937.50   2.346    104
        929.69   2.327     75
        648.07   1.622     36
        514.16   1.287    132
        512.82   1.284    132
        501.59   1.256   1000
        358.40   0.897     65
        351.68   0.880    210
        344.73   0.863     81
    

in CDCl3



KBr disc



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