54947-34-1

D-葡糖胺肟盐酸盐(54947-34-1)红外图谱(IR2)

产品名称:D-葡糖胺肟盐酸盐

CAS:54947-34-1

分子式:C6H15ClN2O5

分子量: 230.65

InChI:InChI=1/C6H14N2O5.ClH/c7-3(1-8-13)5(11)6(12)4(10)2-9;/h1,3-6,9-13H,2,7H2;1H/b8-1+;/t3-,4+,5+,6+;/s3

InChIKey: FBSKNFHFTDIXRN-FAXIAXCVNA-N

Smiles:[C@@H](O)([C@@H](N)/C=N/O)[C@H](O)[C@H](O)CO.Cl |&1:0,2,7,9,r|

400 MHz in DMSO-d6

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₄ N₂ O₅	0.037 g : 0.5 ml DMSO-d₆
D-(+)-glucosamine oxime hydrochloride

    Assign.     Shift(ppm)

      A            11.5
      B             7.393
      C             3.954
      D             3.871
      E     *1      3.582
      F             3.51
      G     *1      3.45
      J             3.293
     
     THE SIGNAL F OVERLAPPED BY H2O SIGNAL.
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   4589.97  11.485     50
   4589.60  11.485     54
   4579.53  11.459    351
   4569.27  11.434     47
   4568.90  11.433     45
   2957.96   7.402    994
   2952.09   7.387   1000
   2161.91   5.410     71
   1814.26   4.540     69
   1585.49   3.968    302
   1576.88   3.946    454
   1553.62   3.888    464
   1547.76   3.873    465
   1545.01   3.866    319
   1539.15   3.852    283
   1439.32   3.602    329
   1436.76   3.596    384
   1428.52   3.575    451
   1425.95   3.568    474
   1413.31   3.537    411
   1408.18   3.524    518
   1404.89   3.516    585
   1401.59   3.508    498
   1400.86   3.506    486
   1399.39   3.502    557
   1396.64   3.495    512
   1384.01   3.464    502
   1378.69   3.450    378
   1373.02   3.436    360
   1320.63   3.305    523
   1319.90   3.303    510
   1311.84   3.283    419
   1311.11   3.281    417

¹H NMR	399.65 MHz
C₆ H₁₄ N₂ O₅	0.030 g : 0.5 ml D₂O
D-(+)-glucosamine oxime hydrochloride

    Assign.     Shift(ppm)

      A             7.608
      B             4.24
      C             4.23
      D     *1      3.843
      E             3.782
      F     *1      3.68
      G             3.65
     
     ASSIGNED BY H-H COSY.
     THE SOLVENT SIGNAL SUPPRESSED.

     Hz     ppm     Int.

   3043.21   7.615    778
   3038.57   7.604    838
   1705.57   4.268    208
   1703.61   4.263    120
   1701.05   4.257    187
   1698.73   4.251    628
   1694.09   4.239    719
   1691.04   4.232    846
   1690.06   4.229   1000
   1683.23   4.212    293
   1546.26   3.870    301
   1543.58   3.863    431
   1534.42   3.840    375
   1531.74   3.833    588
   1521.48   3.808    196
   1520.02   3.804    157
   1518.80   3.801    189
   1515.63   3.793    235
   1512.70   3.786    375
   1509.77   3.778    324
   1506.59   3.770    347
   1503.91   3.764    360
   1476.68   3.695    459
   1473.02   3.686    204
   1472.41   3.685    200
   1469.85   3.678    737
   1468.63   3.675    868
   1464.97   3.666    532
   1460.69   3.655    473
   1459.11   3.651    667

in DMSO-d6

in D2O