D-GLUCOSAMINE-OXIME HYDROCHLORIDE(54947-34-1) 13C NMR
Product NameD-GLUCOSAMINE-OXIME HYDROCHLORIDE
CAS54947-34-1
Molecular FormulaC6H15ClN2O5
Molecular Weight230.65
InChIInChI=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
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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
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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
in DMSO-d6
in D2O
KBr disc
nujol mull
