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320-67-2

5-氮杂胞苷(320-67-2)Raman光谱

产品名称:5-氮杂胞苷

CAS:320-67-2

分子式:C8H12N4O5

分子量: 244.2

InChI:InChI=1/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/s3

InChIKey: NMUSYJAQQFHJEW-QNEKUJPYNA-N

Smiles:OC[C@H]1O[C@@H](N2C=NC(N)=NC2=O)[C@H](O)[C@@H]1O |&1:2,4,13,15,r|

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    Mass

    MS2007-03489WA      
    5-azacytidine
    C8H12N4O5           (Mass of molecular ion:    244)
    

       Source Temperature: 250 °C
       Sample Temperature: 220 °C
       Direct, 70 eV
    

          15.0       2.5
          18.0       1.7
          19.0       2.1
          26.0       1.4
          27.0       6.2
          28.0      21.5
          29.0      18.9
          30.0       2.0
          31.0      14.3
          39.0       4.0
          40.0       2.1
          41.0       8.3
          42.0      32.4
          43.0      44.8
          44.0      14.1
          45.0       9.9
          46.0       1.6
          47.0       1.9
          53.0       4.6
          54.0       2.0
          55.0       8.9
          56.0       6.0
          57.0      22.6
          58.0       2.9
          59.0       1.6
          60.0      10.1
          61.0       4.0
          67.0       1.3
          68.0      10.7
          69.0      26.6
          70.0      22.3
          71.0      18.9
          72.0       3.1
          73.0      18.3
          74.0       3.1
          82.0       1.3
          84.0       4.7
          85.0      11.3
          86.0      25.9
          87.0       2.0
          95.0       1.4
          96.0       2.0
          97.0       8.0
          98.0       3.1
          99.0       1.3
         101.0       1.0
         110.0       1.3
         111.0       4.8
         112.0     100.0
         113.0      91.6
         114.0       6.0
         115.0       2.2
         124.0       1.3
         125.0       1.5
         126.0       1.9
         127.0       1.1
         132.0       1.2
         133.0       1.6
         138.0       1.4
         139.0       1.6
         140.0       2.3
         141.0      41.5
         142.0       3.4
         143.0       2.8
         144.0       1.3
         152.0      16.5
         153.0       1.9
         155.0      10.2
         156.0       1.2
         171.0      13.6
         172.0       1.3
         178.0       1.3
         179.0       2.9
         196.0       1.8
         214.0       1.4
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H12 N4 O5 0.028 g : 0.5 ml DMSO-d6
    5-azacytidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.590 B 7.53 C 5.673 D 4.087 E 4.018 F 3.860 G *1 3.697 J *1 3.563

         Hz     ppm     Int.
    

       3433.38   8.591   1000
       3014.98   7.545    237
       3007.66   7.526    281
       2269.44   5.679    460
       2265.63   5.670    469
       1638.34   4.100    176
       1633.61   4.088    292
       1629.64   4.078    234
       1611.02   4.032    216
       1605.38   4.017    312
       1600.34   4.005    185
       1545.56   3.868    250
       1542.66   3.861    207
       1539.76   3.853    218
       1486.36   3.720    155
       1483.31   3.712    156
       1474.15   3.689    234
       1471.25   3.682    214
       1431.12   3.581    225
       1428.07   3.574    237
       1418.91   3.551    185
       1415.86   3.543    176
    

in DMSO-d6

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KBr disk

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Nujol

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