D-葡糖胺肟盐酸盐(54947-34-1)红外图谱(IR2)
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 D2O
400 MHz in DMSO-d6
-
| 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
-
| 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