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网站主页CAS数据库列表 544-62-7更多图谱鲨肝醇(544-62-7)Raman光谱

鲨肝醇

产品名称 鲨肝醇

CAS号544-62-7

分子式C21H44O3

分子量344.57

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  • Mass

    MS-NW-6293          
    3-octadecyloxy-1,2-propanediol
    C21H44O3            (Mass of molecular ion:    344)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       3.7
          19.0       4.6
          26.0       1.1
          27.0      16.0
          28.0       5.2
          29.0      42.6
          30.0       1.3
          31.0      12.4
          39.0       9.9
          40.0       2.6
          41.0      78.4
          42.0      18.1
          43.0     100.0
          44.0      19.6
          45.0      18.2
          53.0       4.6
          54.0       6.1
          55.0      66.8
          56.0      18.3
          57.0      86.9
          58.0       5.9
          59.0       1.2
          60.0       2.9
          61.0      20.5
          66.0       1.2
          67.0       9.8
          68.0       8.7
          69.0      37.6
          70.0      12.1
          71.0      49.4
          72.0       3.0
          73.0       1.4
          74.0      11.5
          75.0      11.9
          77.0       2.9
          79.0       1.4
          80.0       1.0
          81.0       6.2
          82.0      13.7
          83.0      30.6
          84.0       6.4
          85.0      33.7
          86.0       2.5
          87.0       1.9
          93.0      24.2
          94.0       1.1
          95.0       4.0
          96.0       7.6
          97.0      23.6
          98.0       5.0
          99.0      13.3
         100.0       1.2
         109.0       2.1
         110.0       3.2
         111.0      11.9
         112.0       3.4
         113.0       9.7
         114.0       1.0
         123.0       1.5
         124.0       2.2
         125.0       6.8
         126.0       2.2
         127.0       6.9
         138.0       1.5
         139.0       3.4
         140.0       1.5
         141.0       5.2
         152.0       1.0
         153.0       2.3
         154.0       1.3
         155.0       4.6
         167.0       1.5
         168.0       1.3
         169.0       3.7
         181.0       1.2
         182.0       1.1
         183.0       2.7
         197.0       1.7
         224.0       1.3
         250.0       3.0
         252.0       6.6
         253.0      10.5
         254.0       2.0
         264.0       1.1
         269.0       1.0
         281.0       2.0
         282.0       1.0
         283.0       8.7
         284.0       2.0
         313.0       2.1
    

400 MHz in CDCl3

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C21 H44 O3 0.040 g : 0.5 ml CDCl3
    3-octadecyloxy-1,2-propanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.863 B *1 3.707 C *1 3.635 D *2 3.51 E *2 3.49 F 3.46 G 2.8 J 1.574 K 1.29 L 1.26 M 0.862

         Hz     ppm     Int.
    

       1479.37   3.702     20
       1459.23   3.652     26
       1453.74   3.638     24
       1404.54   3.515     48
       1400.27   3.504     85
       1394.04   3.489     49
       1390.99   3.481     28
       1388.79   3.476     25
       1384.40   3.465     61
       1382.08   3.459     49
       1377.69   3.448     25
       1375.37   3.442     25
        629.27   1.575     25
        622.19   1.557     21
        514.77   1.289     70
        502.20   1.257   1000
        358.40   0.897     43
        351.81   0.881    142
        344.73   0.863     53
    


  • 1H NMR 399.65 MHz
    C21 H44 O3 0.038 g : 0.5 ml DMSO-d6
    3-octadecyloxy-1,2-propanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.37 B 4.26 C 3.555 D *1 3.36 to 3.34 E *1 3.303 F *1 3.262 G 1.48 J 1.24 K 0.856

         Hz     ppm     Int.
    

       1747.92   4.374     43
       1742.92   4.362     45
       1703.00   4.262     36
       1697.27   4.247     21
       1349.49   3.377     38
       1344.85   3.366     28
       1342.90   3.361     84
       1340.94   3.356     32
       1339.84   3.353     26
       1336.30   3.344     52
       1334.96   3.341     59
       1329.83   3.328     49
       1323.49   3.312     29
       1309.20   3.276     33
       1303.22   3.261     29
        496.70   1.243   1000
        349.00   0.874     27
        342.29   0.857    101
        335.21   0.839     35
    

in DMSO-d6

in CDCl3





KBr disc



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