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网站主页CAS数据库列表 16376-36-6更多图谱β-氯醛糖(16376-36-6)核磁图(1HNMR)

β-氯醛糖

产品名称 β-氯醛糖

CAS号16376-36-6

分子式C8H11Cl3O6

分子量309.53

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  • Mass

    MS2006-03233WA      
    (S)-1,2-O-(2,2,2-trichloroethylidene)-alpha-D-glucofuranose
    C8H11Cl3O6          (Mass of molecular ion:    308)
    

       Source Temperature: 250 °C
       Sample Temperature:  65 °C
       Direct, 70 eV
    

          15.0       4.7
          18.0       2.1
          19.0       6.9
          26.0       1.4
          27.0       9.4
          28.0       1.6
          29.0      28.9
          30.0       2.4
          31.0      33.2
          36.0       1.3
          39.0       6.4
          40.0       1.1
          41.0      12.5
          42.0       7.5
          43.0      33.4
          44.0       6.8
          45.0      19.5
          47.0       2.8
          48.0       2.1
          49.0       1.4
          53.0       3.4
          54.0       3.6
          55.0       9.8
          56.0       4.2
          57.0      24.0
          58.0       1.4
          59.0       6.9
          60.0      22.2
          61.0      38.4
          62.0       1.1
          63.0       1.0
          65.0       1.1
          68.0       3.4
          69.0      18.1
          70.0       1.6
          71.0      85.7
          72.0      18.4
          73.0     100.0
          74.0       6.6
          75.0       1.4
          76.0       1.8
          77.0       1.3
          81.0       4.6
          82.0       4.3
          83.0      14.2
          84.0       6.2
          85.0      59.4
          86.0       5.5
          87.0       2.2
          89.0       3.1
          91.0      22.3
          93.0       1.3
          95.0       3.3
          96.0       1.9
          97.0       7.9
          98.0       1.3
          99.0       5.5
         101.0      11.9
         102.0       3.6
         103.0       5.2
         109.0       3.5
         110.0       1.3
         111.0       5.6
         112.0       7.3
         113.0      93.7
         114.0       6.1
         115.0       4.1
         116.0       1.1
         117.0       5.8
         118.0       1.3
         119.0       7.0
         120.0       8.4
         121.0       1.7
         125.0       4.8
         127.0      29.7
         128.0       2.2
         129.0       1.4
         130.0       1.9
         131.0       7.9
         132.0       2.3
         145.0      16.5
         146.0       1.2
         152.0       1.8
         153.0       6.7
         154.0       2.1
         155.0       5.7
         157.0       1.8
         173.0       9.4
         183.0       1.8
         185.0       1.2
         188.0      12.9
         189.0       4.5
         190.0      12.6
         191.0      27.2
         192.0       6.4
         193.0       1.9
         195.0       2.4
         197.0       1.6
         201.0      10.7
         203.0      10.3
         205.0       3.3
         217.0       5.2
         219.0       5.1
         221.0       1.8
         229.0       1.7
         230.0       6.7
         231.0       3.0
         232.0       6.5
         233.0       1.8
         234.0       2.2
         247.0      10.4
         249.0      10.1
         251.0       3.3
         259.0       1.7
         261.0       1.7
         277.0       1.7
         279.0       1.6
    

400 MHz in DMSO-d6

in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H11 Cl3 O6 0.040 g : 0.5 ml DMSO-d6
    (S)-1,2-O-(2,2,2-trichloroethylidene)-alpha-D-glucofuranose
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.200 B 5.815 C 5.36 D 4.76 E 4.698 F 4.52 G 4.147 J 3.864 K 3.702 L *1 3.570 M *1 3.39 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       2479.86   6.206    366
       2476.07   6.196    363
       2324.10   5.816   1000
       2146.36   5.371    263
       2141.72   5.359    268
       1905.52   4.768    293
       1899.66   4.754    302
       1879.64   4.704    331
       1875.85   4.694    325
       1812.26   4.535    138
       1806.40   4.520    330
       1800.66   4.506    147
       1660.89   4.156    137
       1658.33   4.150    167
       1656.37   4.145    161
       1653.81   4.139    142
       1550.54   3.880    139
       1547.97   3.874    133
       1541.87   3.859    180
       1539.43   3.852    176
       1491.58   3.733     36
       1488.89   3.726     47
       1485.72   3.718     82
       1483.03   3.711    105
       1479.98   3.704     85
       1477.05   3.696    100
       1474.37   3.690     74
       1471.19   3.682     43
       1468.38   3.675     37
       1438.23   3.599     65
       1435.42   3.592     64
       1432.50   3.585     71
       1429.69   3.578     73
       1426.88   3.571    100
       1424.07   3.564     90
       1421.26   3.557     94
       1418.46   3.550     83
       1366.94   3.421     80
       1360.96   3.406    150
       1355.22   3.392    139
       1343.75   3.363     75
    



in DMSO-d6



KBr disc



nujol mull