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网站主页CAS数据库列表 78617-12-6更多图谱庚烷基-β-D-吡喃葡萄糖苷(78617-12-6)核磁图(1HNMR)

庚烷基-β-D-吡喃葡萄糖苷

产品名称 庚烷基-β-D-吡喃葡萄糖苷

CAS号78617-12-6

分子式C13H26O6

分子量278.34

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  • Mass

    MS-IW-9747          
    heptyl beta-D-glucopyranoside
    C13H26O6            (Mass of molecular ion:    278)
    

       Source Temperature: 190 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          15.0       1.3
          18.0       3.0
          19.0       2.7
          27.0       6.0
          28.0       4.1
          29.0      13.5
          31.0       7.5
          39.0       3.9
          41.0      22.3
          42.0      10.2
          43.0      28.3
          44.0       4.7
          45.0       5.7
          47.0       1.5
          53.0       1.4
          54.0       1.6
          55.0      16.6
          56.0      18.6
          57.0     100.0
          58.0       4.7
          59.0       1.0
          60.0      77.6
          61.0       7.6
          68.0       2.3
          69.0      13.6
          70.0      17.2
          71.0      13.8
          72.0       2.4
          73.0      47.6
          74.0      29.7
          75.0       2.1
          81.0       1.0
          83.0       1.5
          85.0       6.4
          86.0       2.7
          87.0       5.5
          89.0       1.8
          91.0       3.0
          97.0       6.5
          98.0      12.3
          99.0      21.6
         100.0       1.7
         101.0       1.7
         102.0       1.1
         103.0       1.0
         116.0       5.4
         127.0       2.0
         131.0       3.4
         144.0       6.0
         145.0      11.0
         146.0       1.0
         158.0       1.3
         163.0       1.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C13 H26 O6 0.042 g : 0.5 ml DMSO-d6
    heptyl beta-D-glucopyranoside
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.91 B 4.47 C 4.092 D *1 3.751 E *2 3.658 F *2 3.43 G *1 3.400 J 3.124 K 3.07 L 3.03 M 2.931 N 1.511 P 1.30 to 1.25 Q 0.863 ASSIGNED BY H-H COSY AND ADDITION OF D2O. J(C,M)=7.8HZ J(D,G)=-9.5HZ J(D,N)=J(G,N)=6.8HZ J(E,F)=-11.7HZ J(J,L)=J(J,M)=8.6HZ J(K,L)=9.3HZ J(E,K)=5.7HZ J(F,K)=1.7HZ

         Hz     ppm     Int.
    

       1967.65   4.924    175
       1784.67   4.466     90
       1639.40   4.103    370
       1631.59   4.083    385
       1511.11   3.782     73
       1504.27   3.764    168
       1501.59   3.758    100
       1497.44   3.747     97
       1494.75   3.741    190
       1487.92   3.724     86
       1468.26   3.674     90
       1456.79   3.646    114
       1377.69   3.448     87
       1374.15   3.439     81
       1370.97   3.431    139
       1364.14   3.414    239
       1361.45   3.407    135
       1357.30   3.397    115
       1354.61   3.390    175
       1347.53   3.372    240
       1257.08   3.146     62
       1248.78   3.125    150
       1240.23   3.104    123
       1235.84   3.093     65
       1234.13   3.089     58
       1230.10   3.078     53
       1226.20   3.069    159
       1224.73   3.065    178
       1220.58   3.055    348
       1212.52   3.034    131
       1203.25   3.011     39
       1179.44   2.952     94
       1171.14   2.931    150
       1162.84   2.910     74
        618.29   1.548     40
        611.82   1.531    130
        604.98   1.514    203
        597.78   1.496    164
        590.94   1.479     60
        520.87   1.304    224
        512.94   1.284    389
        509.03   1.274    559
        506.47   1.268    582
        503.17   1.260    625
        352.17   0.882    304
        345.46   0.865   1000
        338.50   0.847    352
    

in DMSO-d6