Sodium gluconate (527-07-1) 13C NMR
Product NameSodium gluconate
CAS527-07-1
Molecular FormulaC6H13NaO7
Molecular Weight220.15
InChIInChI=1/C6H12O7.Na.H/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);;/t2-,3-,4+,5-;;/s3
InChIKey MPPJUDJABRMYJR-QZHCVFHNNA-N
Smiles[C@@H](O)([C@@H](O)C(=O)O)[C@H](O)[C@H](O)CO.[NaH] |&1:0,2,7,9,r|
400 MHz in D2O
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1H NMR 399.65 MHz C6 H11 Na O7 0.047 g : 0.5 ml D2O sodium D-gluconate 
Assign. Shift(ppm)
B 4.141 C 4.042 D *1 3.830 E *2 3.78 F *2 3.77 G *1 3.67 THE SOLVENT SIGNAL REMOVED. ASSIGNED BY H-H COSY. J(B,C)=3.5HZ J(D,G)=-11.6HZ
Hz ppm Int.1657.10 4.147 378 1653.56 4.138 433 1647.09 4.122 33 1615.36 4.042 393 1607.30 4.022 34 1606.69 4.021 32 1606.32 4.020 32 1538.21 3.849 285 1536.99 3.846 348 1535.64 3.843 289 1526.73 3.821 409 1524.29 3.815 540 1520.87 3.806 38 1518.80 3.801 126 1516.85 3.796 47 1511.60 3.783 455 1509.64 3.778 643 1507.45 3.772 1000 1506.71 3.771 988 1504.76 3.766 614 1499.63 3.753 112 1496.58 3.745 33 1496.22 3.744 32 1495.36 3.742 30 1480.59 3.705 69 1475.34 3.692 334 1472.53 3.685 238 1468.99 3.676 285 1463.75 3.663 312 1462.65 3.660 154 1461.67 3.658 124 1459.84 3.653 125 1458.74 3.651 130 1457.40 3.647 197
in D2O
KBr disc
nujol mull
