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网站主页CAS数据库列表 2492-87-7更多图谱4-硝基苯-Β-D-吡喃葡萄糖苷(2492-87-7)质谱(MS)

4-硝基苯-Β-D-吡喃葡萄糖苷

产品名称 4-硝基苯-Β-D-吡喃葡萄糖苷

CAS号2492-87-7

分子式C12H15NO8

分子量301.25

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  • Mass

    MS-NW-2318          
    p-nitrophenyl beta-D-glucopyranoside
    C12H15NO8 (H2O)     (Mass of molecular ion:    301)
    

       Source Temperature: 270 °C
       Sample Temperature: 230 °C
       Direct, 75 eV
    

          14.0       3.2
          15.0      16.8
          17.0       5.8
          18.0      27.6
          19.0      24.1
          25.0       1.4
          26.0       8.9
          27.0      28.0
          28.0      22.5
          29.0      45.5
          30.0      16.2
          31.0      48.7
          32.0       2.3
          37.0       4.2
          38.0      10.9
          39.0      55.8
          40.0       5.0
          41.0      23.9
          42.0      17.8
          43.0      61.5
          44.0      14.8
          45.0      54.5
          46.0       1.6
          47.0       7.2
          49.0       1.8
          50.0      11.7
          51.0       8.8
          52.0       8.3
          53.0      18.0
          54.0       5.4
          55.0      28.2
          56.0      17.7
          57.0      82.4
          58.0       4.6
          59.0       6.1
          60.0      79.7
          61.0      56.6
          62.0       7.0
          63.0      15.6
          64.0       9.8
          65.0      65.6
          66.0       5.3
          67.0       1.8
          68.0       4.3
          69.0      46.6
          70.0      13.0
          71.0      29.8
          72.0       8.6
          73.0     100.0
          74.0      13.0
          75.0      10.1
          76.0       8.0
          77.0       7.3
          78.0       2.4
          79.0       3.2
          80.0       4.2
          81.0      25.4
          82.0       2.5
          83.0       4.8
          84.0       2.3
          85.0      91.0
          86.0       6.7
          87.0      56.8
          88.0       3.5
          89.0       5.9
          90.0       1.7
          91.0      25.9
          92.0       4.9
          93.0      22.6
          94.0       7.2
          95.0       2.9
          96.0       3.1
          97.0      22.4
          98.0      11.2
          99.0      12.3
         100.0       1.1
         101.0       8.3
         102.0       2.7
         103.0       8.9
         106.0       1.4
         107.0       4.7
         108.0       2.2
         109.0      49.6
         110.0       4.0
         112.0       1.0
         113.0       2.4
         114.0       1.4
         115.0       6.5
         116.0       2.1
         118.0       1.1
         122.0       1.8
         123.0      20.0
         124.0       3.1
         126.0       2.4
         127.0      35.0
         128.0       2.8
         131.0       2.4
         133.0       1.2
         135.0       1.0
         136.0       1.9
         139.0      63.7
         140.0      12.3
         141.0       1.5
         144.0       5.2
         145.0      60.2
         146.0       4.6
         147.0       1.2
         152.0       2.5
         162.0       1.7
         163.0      10.6
         164.0       1.0
         165.0       2.3
         181.0       2.0
         182.0       2.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C12 H15 N O8 0.030 g : 0.5 ml DMSO-d6
    p-nitrophenyl beta-D-glucopyranoside
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.217 B 7.237 C 5.48 D 5.19 E 5.12 F 5.10 G 4.63 J *1 3.707 K *1 3.490 L 3.43 M 3.32 N 3.30 P 3.208 H2O signal at 3.43 ppm removed. assigned by H-H and C-H COSY. J(C,N)=4.9 Hz J(D,M)=4.8 Hz J(E,P)=5.4 Hz J(F,N)=7.5 Hz J(G,J)=J(G,K)=5.6 Hz J(J,K)=-11.4 Hz J(J,L)=1.7 Hz J(P,L)=J(P,M)=9.0 Hz

         Hz     ppm     Int.
    

       3292.85   8.240     73
       3289.31   8.231    920
       3287.11   8.225    274
       3284.79   8.220     58
       3282.23   8.213    271
       3280.03   8.208   1000
       3276.61   8.199    108
       2900.63   7.258     82
       2897.22   7.250    893
       2895.02   7.244    271
       2892.46   7.238     60
       2890.01   7.232    255
       2887.82   7.226    863
       2884.40   7.218     98
       2194.82   5.492    389
       2189.94   5.480    400
       2076.66   5.197    396
       2071.90   5.185    403
       2047.61   5.124    545
       2042.24   5.111    659
       2033.81   5.089    307
       1854.98   4.642    193
       1849.37   4.628    406
       1843.51   4.613    209
       1490.84   3.731     84
       1489.14   3.727     97
       1485.11   3.717     91
       1483.64   3.713    112
       1479.13   3.702    134
       1477.42   3.697    125
       1473.63   3.688    128
       1472.29   3.684    124
       1406.86   3.521     84
       1404.66   3.515     38
       1400.88   3.506    174
       1397.95   3.498     73
       1395.02   3.491    193
       1389.40   3.477    157
       1384.16   3.464     97
       1383.18   3.461     89
       1380.25   3.454    188
       1378.78   3.450    158
       1374.51   3.440    179
       1374.02   3.439    173
       1373.78   3.438    173
       1372.92   3.436    172
       1372.44   3.435    170
       1371.95   3.433    169
       1371.22   3.432    168
       1370.85   3.431    168
       1370.48   3.430    167
       1370.24   3.429    167
       1369.02   3.426    165
       1368.53   3.425    164
       1367.55   3.422    162
       1366.94   3.421    161
       1366.46   3.420    160
       1366.09   3.419    160
       1365.60   3.417    159
       1364.99   3.416    158
       1364.38   3.414    157
       1363.89   3.413    156
       1363.65   3.413    156
       1363.04   3.411    155
       1362.79   3.410    155
       1362.43   3.410    154
       1361.82   3.408    153
       1361.08   3.406    153
       1360.47   3.405    159
       1358.89   3.401     83
       1357.91   3.398     87
       1356.08   3.394     85
       1339.60   3.352     38
       1330.69   3.330    147
       1325.07   3.316    224
       1322.63   3.310    323
       1319.95   3.303    302
       1315.31   3.292    173
       1311.77   3.283     56
       1306.52   3.270     53
       1292.60   3.235     86
       1290.04   3.228     45
       1287.23   3.221    102
       1283.57   3.212    126
       1278.08   3.198    123
       1274.66   3.190     72
       1271.85   3.183     34
       1269.17   3.176     55
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder