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951-78-0

2-脱氧尿苷(951-78-0)核磁图(13CNMR)

产品名称:2-脱氧尿苷

CAS:951-78-0

分子式:C9H12N2O5

分子量: 228.2

InChI:InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1

InChIKey: MXHRCPNRJAMMIM-SHYZEUOFSA-N

Smiles:OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)C[C@@H]1O

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    Mass

    MS-NW-9063          
    2'-deoxyuridine
    C9H12N2O5           (Mass of molecular ion:    228)
    

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

          15.0       1.6
          17.0       1.0
          18.0       5.9
          19.0       3.1
          26.0       2.1
          27.0       4.1
          28.0      10.5
          29.0       5.1
          31.0       5.1
          39.0       3.0
          40.0       4.7
          41.0      10.0
          42.0      13.2
          43.0      19.4
          44.0       6.8
          45.0      24.1
          47.0       1.5
          53.0       2.9
          54.0       3.6
          55.0       4.0
          56.0       1.4
          57.0       6.8
          67.0       1.1
          68.0       7.4
          69.0      29.5
          70.0       7.4
          71.0      10.7
          73.0      26.5
          74.0       1.0
          81.0       3.8
          82.0       1.5
          85.0       3.1
          87.0       2.7
          95.0       1.3
          96.0       9.9
          97.0       4.1
          98.0       6.1
          99.0      18.6
         100.0       1.1
         108.0       1.4
         112.0      34.6
         113.0      17.6
         114.0       1.1
         116.0       1.1
         117.0     100.0
         118.0       5.8
         136.0       2.5
         139.0       3.7
         140.0       1.5
         168.0       1.0
         192.0       1.3
         198.0       1.2
         210.0       1.8
         228.0       2.1
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C9 H12 N2 O5 0.039 g : 0.5 ml D2O
    2'-deoxyuridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.866 B 6.280 C 5.885 D 4.473 E 4.060 F *1 3.846 G *1 3.775 J *2 2.42 K *2 2.38 The solvent peak suppressed. J(A,C)=8.1 Hz. J(B,J)=6.5 Hz. J(B,K)=6.5 Hz.

         Hz     ppm     Int.
    

       3147.95   7.877    984
       3139.89   7.857   1000
       2516.72   6.298    440
       2510.13   6.281    891
       2503.42   6.265    444
       2358.15   5.901    718
       2350.10   5.881    702
       1794.92   4.492    235
       1790.89   4.482    470
       1788.70   4.476    400
       1787.11   4.472    390
       1784.67   4.466    521
       1780.64   4.456    268
       1627.93   4.074    253
       1624.15   4.064    539
       1623.05   4.062    522
       1619.26   4.052    636
       1615.48   4.043    306
       1547.24   3.872    336
       1543.70   3.863    346
       1534.79   3.841    720
       1531.25   3.832    685
       1515.50   3.793    690
       1510.50   3.780    644
       1503.05   3.761    344
       1499.88   3.753     91
       1497.92   3.749    312
        985.23   2.466    127
        980.96   2.455    150
        978.64   2.449    163
        974.37   2.439    171
        970.95   2.430    418
        966.80   2.420    436
        964.48   2.414    470
        959.47   2.401    579
        952.51   2.384    670
        945.80   2.367    422
        938.35   2.348    233
        931.64   2.332    132
    

in D2O

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KBr disc

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