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苯甲酰胞苷

产品名称 苯甲酰胞苷

CAS号13089-48-0

分子式C16H17N3O6

分子量347.32

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  • Mass

    MS-KW-0204          
    N(4)-benzoylcytidine
    C16H17N3O6          (Mass of molecular ion:    347)
    

       Source Temperature: 180 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          15.0       1.6
          17.0       2.7
          18.0      13.7
          19.0       1.8
          26.0       2.5
          27.0       5.1
          28.0      13.1
          29.0       6.7
          30.0       2.0
          31.0       4.1
          38.0       1.8
          39.0       4.8
          40.0       3.0
          41.0       4.7
          42.0       5.6
          43.0       6.9
          44.0       5.6
          45.0       2.9
          50.0       4.5
          51.0      10.2
          52.0       3.3
          53.0       1.4
          54.0       1.7
          55.0       5.0
          56.0       2.3
          57.0       9.3
          58.0       1.4
          60.0       2.5
          61.0       2.0
          66.0       1.4
          67.0       2.8
          68.0       4.6
          69.0       6.5
          70.0       1.8
          71.0       3.5
          72.0       1.2
          73.0       6.8
          74.0       2.3
          75.0       1.5
          76.0       4.4
          77.0      41.9
          78.0       6.4
          79.0       2.0
          83.0       1.4
          84.0       1.8
          85.0       2.4
          86.0       1.5
          94.0       3.3
          95.0       4.8
          96.0       3.4
          97.0       2.3
         103.0       6.6
         104.0       1.9
         105.0     100.0
         106.0       7.8
         111.0       6.0
         112.0      32.2
         113.0       3.1
         114.0       1.0
         115.0       1.1
         118.0       3.3
         121.0       1.2
         122.0       9.7
         123.0       2.4
         138.0       7.5
         140.0      15.1
         141.0       1.3
         151.0       7.9
         152.0       1.0
         154.0       1.4
         170.0       2.4
         171.0       1.0
         178.0       1.4
         186.0       7.8
         187.0       3.4
         214.0       6.4
         215.0      11.2
         216.0      10.7
         217.0       1.5
         244.0       5.7
         245.0       1.0
         255.0       4.0
         274.0       1.1
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C16 H17 N3 O6 0.033 g : 0.5 ml DMSO-d6
    N(4)-benzoylcytidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.2 B 8.525 C 8.025 D 7.636 E 7.530 F 7.36 G 5.847 J 5.55 K 5.22 L 5.09 M 4.05 N 4.02 P 3.96 Q *1 3.79 R *1 3.65 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       4494.90  11.248    317
       3403.42   8.517    263
       3211.28   8.036    903
       3203.77   8.017    928
       3060.35   7.658    211
       3053.02   7.640    491
       3045.69   7.621    355
       3016.57   7.549    681
       3008.88   7.529   1000
       3001.37   7.510    454
       2940.92   7.359    199
       2338.12   5.851    697
       2335.56   5.845    697
       2220.16   5.556    443
       2216.13   5.546    457
       2086.63   5.222    478
       2038.46   5.101    458
       2032.96   5.087    468
       1626.34   4.070    188
       1622.12   4.059    397
       1616.26   4.045    515
       1615.89   4.044    516
       1610.40   4.030    462
       1604.90   4.016    375
       1599.59   4.003    202
       1583.29   3.962    467
       1580.91   3.956    390
       1577.80   3.948    337
       1523.40   3.812    182
       1523.03   3.811    185
       1522.66   3.810    188
       1521.38   3.807    195
       1518.27   3.799    179
       1513.50   3.788    244
       1513.14   3.787    241
       1510.94   3.781    261
       1510.39   3.780    260
       1509.29   3.777    259
       1466.61   3.670    218
       1466.06   3.669    218
       1462.58   3.660    280
       1459.10   3.651    234
       1454.89   3.641    186
       1454.53   3.640    187
       1451.04   3.631    198
       1450.31   3.629    196
    

in DMSO-d6