57977-73-8

2',3'-O-ISOPROPYLIDENECYTIDINE HYDROCHLORIDE(57977-73-8)Raman光谱

产品名称:2',3'-O-ISOPROPYLIDENECYTIDINE HYDROCHLORIDE

分子式:C12H18ClN3O5

分子量: 319.74

InChI:InChI=1/C12H17N3O5.ClH/c1-12(2)19-8-6(5-16)18-10(9(8)20-12)15-4-3-7(13)14-11(15)17;/h3-4,6,8-10,16H,5H2,1-2H3,(H2,13,14,17);1H/t6-,8-,9-,10-;/s3

InChIKey: QHLLFDHNDAUUFG-APULCWECNA-N

Smiles:[C@@H]12OC(C)(C)O[C@@H]1[C@@H](CO)O[C@H]2N1C=CC(N)=NC1=O.Cl |&1:0,6,7,11,r|

Mass

MS-NW-6948          
2',3'-O-isopropylidenecytidine hydrochloride
C12H17N3O5 HCl      (Mass of molecular ion:    283)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      15.0       2.8
      17.0       1.2
      18.0       5.3
      26.0       1.3
      27.0       5.1
      28.0       5.7
      29.0       6.6
      31.0       8.7
      36.0       3.3
      38.0       1.2
      39.0       6.5
      40.0       5.1
      41.0      12.7
      42.0       7.9
      43.0      41.7
      44.0       4.5
      45.0       1.8
      52.0       3.2
      53.0       1.6
      54.0       2.3
      55.0       5.4
      56.0       2.6
      57.0      16.3
      58.0       3.8
      59.0      32.5
      60.0       1.8
      66.0       2.0
      67.0       5.4
      68.0      31.1
      69.0      26.6
      70.0       4.0
      71.0       9.1
      72.0       1.1
      73.0       3.3
      79.0       2.2
      81.0       2.0
      82.0       1.1
      83.0       7.5
      84.0       6.8
      85.0      14.7
      86.0       4.0
      87.0       1.0
      89.0       1.2
      93.0       1.2
      94.0       4.1
      95.0       6.5
      96.0       3.5
      97.0       3.0
     100.0       1.0
     101.0       1.4
     109.0       1.2
     110.0       1.8
     111.0      45.3
     112.0     100.0
     113.0       7.7
     114.0       6.6
     115.0       4.9
     122.0       2.9
     123.0       1.6
     125.0       1.3
     126.0       1.9
     129.0       1.3
     135.0       1.5
     136.0       9.8
     137.0       1.6
     138.0       3.1
     140.0       5.8
     142.0       2.1
     150.0       1.1
     151.0       6.6
     152.0       1.3
     154.0       1.1
     157.0       5.1
     166.0       2.5
     168.0       1.3
     169.0       8.6
     173.0       1.1
     178.0       9.2
     179.0       1.0
     180.0       1.9
     194.0      11.7
     195.0       2.0
     196.0       1.1
     208.0       1.0
     225.0       1.3
     252.0       1.1
     268.0       2.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₇ N₃ O₅	0.027 g : 0.5 ml DMSO-d₆
2',3'-O-isopropylidenecytidine hydrochloride

    Assign.     Shift(ppm)

      A     *1      9.98
      B     *1      8.81
      C             8.160
      D             6.197
      E             5.784
      F             4.913
      G             4.766
      J             4.244
      K     *1      3.620
      L     *1      3.566
      M     *2      1.484
      N     *2      1.289

     Hz     ppm     Int.

   3986.66   9.976    158
   3523.10   8.816    151
   3265.53   8.171    200
   3257.60   8.152    209
   2480.62   6.207    228
   2472.84   6.188    229
   2312.93   5.788    252
   2310.94   5.783    260
   1967.93   4.925    124
   1965.94   4.920    130
   1961.82   4.909    150
   1959.84   4.904    150
   1909.18   4.778    136
   1906.43   4.771    145
   1903.08   4.762    120
   1900.33   4.755    118
   1701.51   4.258     66
   1701.05   4.257     63
   1697.85   4.249    142
   1694.79   4.241    142
   1690.83   4.231     69
   1456.30   3.644     58
   1452.18   3.634     64
   1444.09   3.614    144
   1440.28   3.604    137
   1436.00   3.594     35
   1434.78   3.591     35
   1431.12   3.581    135
   1426.54   3.570    138
   1421.51   3.557     30
   1419.07   3.551     65
   1414.64   3.540     57
    593.26   1.485   1000
    515.29   1.290    961

in DMSO-d6

KBr disc

nujol mull

4880 A,200 M,powder

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