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替加氟

产品名称 替加氟

CAS号17902-23-7

分子式C8H9FN2O3

分子量200.17

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  • Mass

    MS-NW-6927          
    5-fluoro-1-(tetrahydro-2-furyl)-2,4(1H,3H)-pyrimidinedione
    C8H9FN2O3           (Mass of molecular ion:    200)
    

       Source Temperature: 200 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          15.0       1.2
          26.0       1.1
          27.0      10.0
          28.0       6.1
          29.0       5.2
          31.0       4.9
          38.0       1.4
          39.0      10.5
          40.0       2.3
          41.0      22.4
          42.0       5.6
          43.0      50.6
          44.0       5.9
          45.0       1.0
          51.0       1.5
          52.0       1.0
          53.0       1.3
          54.0       1.4
          57.0       1.2
          58.0       5.6
          59.0       1.9
          60.0       2.7
          69.0       2.0
          70.0       4.9
          71.0     100.0
          72.0       5.8
          87.0       6.0
          88.0       1.5
          98.0       1.9
          99.0       1.9
         114.0       1.6
         127.0       2.4
         130.0       4.4
         131.0       1.5
         200.0      11.9
         201.0       1.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H9 F N2 O3 0.040 g : 0.5 ml DMSO-d6
    5-fluoro-1-(tetrahydro-2-furyl)-2,4(1H,3H)-pyrimidinedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.8 B 7.870 C 5.912 D *1 4.228 E *1 3.801 F 2.228 G 2.02 J 1.94 ASSIGNED BY C-H COSY

         Hz     ppm     Int.
    

       4717.09  11.804    230
       3149.18   7.880    979
       3145.52   7.871     46
       3142.04   7.862   1000
       2368.71   5.927    195
       2367.06   5.923    220
       2365.41   5.919    238
       2363.76   5.915    239
       2362.30   5.911    246
       2360.65   5.907    233
       2358.64   5.902    219
       2356.99   5.898    204
       1699.42   4.253    149
       1693.74   4.239    187
       1692.64   4.236    247
       1691.73   4.234    219
       1686.05   4.219    228
       1684.58   4.216    204
       1678.90   4.201    119
       1529.81   3.828    177
       1522.48   3.810    449
       1514.60   3.790    360
       1507.46   3.772    132
        888.36   2.223    195
        881.76   2.207    192
        813.81   2.037    161
        809.96   2.027    168
        807.40   2.021    175
        803.73   2.012    176
        781.02   1.955    293
        777.91   1.947    194
        776.44   1.943    195
        773.51   1.936    347
        770.95   1.930    239
        768.57   1.924    181
        766.19   1.918    256
        763.99   1.912    166
        763.07   1.910    180
    

in DMSO-d6

in CDCl3





KBr disc



nujol mull



4880 A,200 M,powder