3767-28-0

4-硝基苯-Α-D-葡吡喃糖苷(3767-28-0)Raman光譜

分子式:C12H15NO8

分子量: 301.25

InChI:InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/s3

InChIKey: IFBHRQDFSNCLOZ-VEBVXGAWNA-N

Smiles:O(C1C=CC(N(=O)=O)=CC=1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:10,12,15,17,19,r|

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₁₅ N O₈	0.040 g : 0.5 ml DMSO-d₆
p-nitrophenyl alpha-D-glucopyranoside

    Assign.     Shift(ppm)

      A             8.230
      B             7.301
      C             5.649
      D             5.26
      E             5.09
      F             5.07
      G             4.54
      J             3.658
      K     *1      3.571
      L     *1      3.48
      M             3.441
      N             3.393
      D             3.233
     
     THE H2O SIGNAL ABOUT 3.45 PPM REMOVED.
     ASSIGNED BY H-H COSY AND ADDITION OF D2O.
     J(C,M) = 3.4 HZ
     J(D,M) = 6.1 HZ
     J(E,P) = 5.7 HZ
     J(F,J) = 5.1 HZ
     J(G,K) = 5.6 HZ
     J(G,L) = 5.9 HZ
     J(J,M) = 9.5 HZ
     J(J,P) = 8.9 HZ
     J(K,L) = -11.7 HZ
     J(K,N) = 2.0 HZ
     J(L,N) = 5.3 HZ
     J(N,P) = 10.1 HZ

     Hz     ppm     Int.

   3297.49   8.251     76
   3294.07   8.243    895
   3291.75   8.237    262
   3289.31   8.231     45
   3286.87   8.225    252
   3284.67   8.219   1000
   3281.25   8.211    101
   2926.03   7.322     84
   2922.61   7.313    881
   2920.29   7.308    256
   2917.85   7.302     47
   2915.53   7.296    238
   2913.21   7.290    857
   2909.79   7.281     91
   2259.52   5.654    370
   2255.98   5.645    377
   2107.18   5.273    520
   2100.95   5.257    536
   2036.13   5.095    509
   2030.03   5.080    805
   2024.78   5.067    523
   1819.82   4.554    183
   1814.09   4.540    450
   1808.23   4.525    192
   1474.73   3.691     81
   1469.73   3.678     84
   1465.33   3.667    142
   1460.33   3.655    148
   1456.42   3.645    118
   1451.29   3.632    124
   1438.72   3.600     64
   1436.52   3.595     73
   1432.86   3.586     69
   1430.79   3.581     85
   1426.76   3.571    132
   1424.68   3.565    123
   1422.85   3.561     64
   1421.02   3.556    124
   1419.07   3.551    116
   1403.08   3.511     90
   1397.46   3.497    176
   1391.48   3.482    181
   1389.89   3.478    184
   1385.99   3.469    222
   1383.67   3.463    167
   1380.00   3.454    305
   1376.46   3.445    194
   1373.05   3.436    375
   1370.48   3.430    270
   1364.01   3.414    151
   1362.06   3.409    125
   1358.64   3.400     99
   1356.57   3.395     83
   1353.88   3.388    129
   1351.93   3.383    136
   1348.88   3.376    116
   1346.68   3.370     96
   1303.71   3.263    118
   1297.97   3.248    119
   1294.92   3.241    136
   1293.95   3.238    121
   1291.63   3.232     34
   1289.18   3.226    134
   1288.21   3.224    125
   1285.16   3.216     88
   1279.30   3.202     83

in DMSO-d6