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METHYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE(3946-01-8) 1H NMR
Product NameMETHYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
CAS3946-01-8
Molecular FormulaC9H17NO6
Molecular Weight235.23
InChIInChI=1/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/s3
InChIKey ZEVOCXOZYFLVKN-QUEBPRJENA-N
SmilesO(C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C |&1:2,4,7,9,11,r|
400 MHz in D2O
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1H NMR 399.65 MHz C9 H17 N O6 0.034 g : 0.5 ml D2O methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside 
Assign. Shift(ppm)
A 4.80 B 4.451 C *1 3.943 D *1 3.758 E 3.694 F 3.54 G 3.512 J 3.47 K 3.44 L 2.042 J(B,E)=8.5HZ J(E,F)=10.1HZ J(C,D)=-12.5HZ J(C,J)=1.8HZ J(D,J)=5.5HZ ASSIGNED BY H-H COSY.
Hz ppm Int.1783.20 4.462 158 1774.66 4.441 170 1583.25 3.962 62 1582.89 3.961 62 1581.79 3.958 64 1571.17 3.932 91 1569.34 3.927 87 1510.13 3.779 56 1504.64 3.765 63 1497.80 3.748 48 1492.31 3.735 52 1486.57 3.720 54 1477.91 3.699 62 1476.32 3.695 81 1467.90 3.673 68 1423.83 3.563 50 1422.24 3.559 42 1415.16 3.541 72 1413.82 3.538 44 1404.17 3.514 1000 1385.38 3.467 67 1384.28 3.464 78 1381.47 3.457 148 1378.05 3.449 43 1374.39 3.439 99 816.77 2.044 918
