961-07-9

2'-脱氧鸟苷(961-07-9)红外图谱(IR2)

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

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

¹H NMR	399.65 MHz
C₁₀ H₁₃ N₅ O₄	0.037 g : 0.5 ml DMSO-d₆
2'-deoxyguanosine

    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