肌苷(58-63-9)Raman光譜

產(chǎn)品名稱:肌苷

分子式:C10H12N4O5

分子量: 268.23

InChI:InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1

InChIKey: UGQMRVRMYYASKQ-KQYNXXCUSA-N

Smiles:OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)O)N=C2)[C@H](O)[C@@H]1O

Mass

MS-NW-2579          
inosine
C10H12N4O5          (Mass of molecular ion:    268)

   Source Temperature: 230 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      15.0       1.9
      17.0       1.2
      18.0       6.1
      19.0       2.4
      27.0       6.2
      28.0      37.8
      29.0       8.1
      30.0       1.0
      31.0       5.0
      38.0       3.7
      39.0       4.8
      40.0       1.5
      41.0       2.4
      42.0       2.4
      43.0       8.1
      44.0       4.5
      45.0       3.6
      47.0       1.1
      53.0      11.1
      54.0      33.1
      55.0       6.5
      56.0       1.9
      57.0      13.5
      58.0       1.5
      60.0       4.7
      61.0       2.1
      65.0       1.3
      66.0       3.3
      67.0       1.3
      68.0       2.7
      69.0       2.4
      70.0       1.8
      71.0       3.8
      72.0       1.6
      73.0       7.7
      74.0       1.1
      80.0       3.2
      81.0      11.0
      82.0       4.4
      85.0       2.0
      86.0       2.0
      97.0       1.5
     108.0       5.5
     109.0       5.7
     115.0       1.3
     133.0       1.0
     135.0       5.6
     136.0     100.0
     137.0       8.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₂ N₄ O₅	0.039 g : 0.5 ml DMSO-d₆
inosine

    Assign.     Shift(ppm)

      A            12.44
      B     *1      8.375
      C     *1      8.114
      D             5.901
      E             5.54
      F             5.25
      G             5.12
      J             4.516
      K             4.160
      L             3.971
      M     *2      3.680
      N     *2      3.583
     
     ASSIGNED BY H-H AND C-H COSY.
     J(D,J)=5.7HZ
     J(E,J)=4.4HZ
     J(F,K)=3.1HZ
     J(G,M)=J(G,N)=5.3HZ

     Hz     ppm     Int.

   4970.95  12.439     52
   3347.18   8.376   1000
   3242.78   8.115    931
   2361.38   5.909    408
   2355.70   5.895    418
   2099.82   5.255    106
   2099.09   5.253    106
   2098.36   5.251    106
   2097.99   5.250    106
   2097.62   5.249    106
   2097.07   5.248    106
   2052.56   5.136     93
   2047.25   5.123    171
   2041.94   5.110     94
   1806.94   4.522    126
   1803.09   4.512    127
   1662.79   4.161    152
   1592.82   3.986     91
   1588.97   3.976    265
   1585.31   3.967    259
   1581.46   3.958     92
   1482.55   3.710     47
   1478.15   3.699     79
   1473.76   3.688     59
   1470.46   3.680     91
   1466.25   3.669    136
   1462.03   3.659     78
   1441.70   3.608     77
   1436.57   3.595    114
   1432.18   3.584     89
   1430.16   3.579     68
   1427.78   3.573     43
   1425.40   3.567     68
   1424.49   3.565     70
   1420.27   3.554     47

in DMSO-d6

in D2O