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961-07-9

2'-脫氧鳥(niǎo)苷(961-07-9)紅外圖譜(IR1)

產(chǎn)品名稱:2'-脫氧鳥(niǎo)苷

CAS:961-07-9

分子式:C10H13N5O4

分子量: 267.24

InChI:InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1

InChIKey: YKBGVTZYEHREMT-KVQBGUIXSA-N

Smiles:OC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=O)N=C2)C[C@@H]1O

  • 圖譜
    Mass

    MS-NW-2019          
    2'-deoxyguanosine
    C10H13N5O4 (H2O)    (Mass of molecular ion:    267)
    

       Source Temperature: 230 °C
       Sample Temperature: 290 °C
       Direct, 75 eV
    

          12.0       1.3
          13.0       1.0
          14.0       1.2
          15.0       2.1
          16.0       2.0
          17.0      10.1
          18.0      46.2
          26.0       6.0
          27.0      34.8
          28.0      29.3
          29.0       7.6
          30.0       1.5
          31.0       3.6
          37.0       1.3
          38.0       4.5
          39.0      12.7
          40.0       3.9
          41.0      11.7
          42.0      13.3
          43.0      40.0
          44.0      13.1
          45.0       2.4
          50.0       2.2
          51.0       4.0
          52.0       8.5
          53.0      18.9
          54.0      22.4
          55.0       8.0
          56.0       3.1
          57.0       3.7
          60.0       1.2
          65.0       1.8
          66.0       4.5
          67.0       2.9
          68.0       8.1
          69.0      11.3
          70.0       5.0
          71.0       1.9
          73.0       2.9
          75.5       1.2
          77.0       1.1
          78.0       1.3
          79.0       3.9
          80.0       5.0
          81.0      23.2
          82.0       6.4
          83.0       3.6
          84.0       1.5
          85.0       1.1
          91.0       1.4
          92.0       1.3
          93.0       1.7
          94.0       1.2
          95.0       2.1
          96.0       2.9
          97.0       5.3
          98.0       8.6
          99.0       1.4
         105.0       1.1
         106.0       3.5
         107.0       1.6
         108.0      10.7
         109.0      20.0
         110.0      18.9
         111.0       1.5
         112.0       1.6
         117.0       2.5
         122.0       1.0
         123.0       1.4
         124.0       1.3
         131.0       1.0
         133.0       1.4
         134.0      11.3
         135.0       7.0
         136.0       1.0
         151.0     100.0
         152.0       8.1
         187.0       1.0
         201.0       1.3
         212.0       1.1
         213.0       5.8
         214.0       1.0
         215.0       1.0
    

400 MHz in DMSO-d6

  • 圖譜

    1H NMR 399.65 MHz
    C10 H13 N5 O4 0.037 g : 0.5 ml DMSO-d6
    2'-deoxyguanosine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.7 B 7.953 C 6.50 D 6.143 E 5.31 F 4.99 G 4.362 J 3.834 K 3.55 L *1 2.53 M *1 2.223 THE SIGNAL L OVERLAPPED BY THE SOLVENT SIGNAL AT 2.50 PPM.

         Hz     ppm     Int.
    

       4280.55  10.711    283
       3184.20   7.968     30
       3178.71   7.954   1000
       2598.42   6.502    370
       2462.31   6.162    173
       2456.21   6.146    227
       2454.53   6.142    223
       2448.43   6.127    174
       2122.04   5.310    399
       2118.07   5.300    402
       2000.43   5.006    168
       1994.93   4.992    375
       1989.29   4.978    170
       1750.64   4.381     56
       1747.59   4.373    124
       1744.84   4.366    164
       1741.79   4.359    164
       1739.04   4.352    124
       1735.99   4.344     57
       1538.09   3.849     95
       1533.66   3.838    234
       1531.07   3.832    230
       1529.24   3.827    141
       1526.49   3.820    107
       1442.26   3.609     52
       1437.23   3.597     85
       1430.51   3.580    150
       1425.48   3.567    213
       1420.44   3.555    138
       1418.15   3.549    145
       1412.81   3.536    193
       1407.93   3.523    139
       1401.06   3.506     79
       1396.18   3.494     58
       1024.78   2.565     78
       1018.98   2.550     98
       1017.00   2.545     96
       1011.05   2.530    360
       1009.06   2.525    330
       1007.23   2.521    264
       1005.86   2.517    206
       1003.88   2.512    138
        998.08   2.498     97
        899.05   2.250     99
        896.15   2.243    106
        893.10   2.235    116
        890.05   2.228    119
        886.08   2.218    101
        883.03   2.210     98
        879.97   2.202     90
        877.08   2.195     84
    

in D2O

in CD3SOCD3

  • 圖譜

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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