D-GLUCOSE DIETHYL MERCAPTAL(1941-52-2) Raman
Product NameD-GLUCOSE DIETHYL MERCAPTAL
CAS1941-52-2
Molecular FormulaC10H22O5S2
Molecular Weight286.41
InChIInChI=1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKey BTOYCPDACQXQRS-LURQLKTLSA-N
SmilesC(SCC)(SCC)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
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MassMS-IW-7687 D-glucose diethyl dithioacetal C10H22O5S2 (Mass of molecular ion: 286)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.1 18.0 4.8 26.0 1.5 27.0 4.7 28.0 3.7 29.0 8.8 30.0 1.1 31.0 3.2 32.0 1.0 34.0 1.4 35.0 1.9 39.0 1.1 41.0 2.7 42.0 2.8 43.0 5.6 44.0 1.7 45.0 7.4 46.0 2.4 47.0 10.2 48.0 1.1 55.0 2.5 56.0 1.0 57.0 3.2 58.0 2.6 59.0 7.0 60.0 3.6 61.0 13.7 62.0 10.3 63.0 4.8 69.0 1.7 71.0 3.3 72.0 1.4 73.0 7.6 74.0 2.7 75.0 18.9 76.0 3.9 77.0 8.6 78.0 1.0 79.0 1.5 84.0 1.0 85.0 8.3 86.0 1.1 87.0 4.2 89.0 4.1 91.0 2.6 97.0 1.8 99.0 1.0 100.0 1.2 101.0 1.2 103.0 10.0 104.0 12.8 105.0 35.9 106.0 7.1 107.0 24.8 108.0 1.8 109.0 2.5 115.0 3.0 117.0 3.6 119.0 1.8 120.0 1.1 127.0 3.5 128.0 1.5 129.0 1.5 133.0 3.7 135.0 100.0 136.0 38.6 137.0 11.7 138.0 3.5 145.0 4.8 148.0 6.8 149.0 1.1 163.0 7.7 175.0 1.0 177.0 4.7 189.0 1.8 193.0 1.5 207.0 6.4 225.0 2.8 286.0 6.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H22 O5 S2 0.038 g : 0.5 ml DMSO-d6 D-glucose diethyl dithioacetal 
Assign. Shift(ppm)
A *1 4.88 B *1 4.44 C *1 4.43 D 4.33 E *1 4.26 F 3.988 G 3.95 J 3.742 K 3.574 L 3.493 M 3.39 N 3.37 P *2 2.65 Q *2 2.62 R *3 1.188 S *3 1.177 ASSIGNED BY H-H COSY
Hz ppm Int.1952.51 4.886 159 1947.39 4.873 163 1777.59 4.448 137 1772.71 4.436 258 1766.48 4.421 159 1734.74 4.341 58 1729.25 4.327 123 1723.63 4.313 65 1708.37 4.275 120 1701.66 4.258 131 1596.44 3.995 210 1591.31 3.982 232 1585.21 3.967 53 1583.13 3.962 60 1578.00 3.949 96 1573.49 3.938 59 1571.41 3.932 54 1503.30 3.762 53 1498.05 3.749 133 1492.92 3.736 126 1487.67 3.723 47 1364.01 3.414 49 1358.28 3.399 87 1356.20 3.394 86 1353.39 3.387 117 1347.66 3.373 150 1343.87 3.363 51 1341.92 3.358 82 1339.60 3.352 71 1070.68 2.680 61 1067.63 2.672 72 1063.23 2.661 197 1060.30 2.654 251 1055.79 2.642 226 1053.47 2.636 482 1046.02 2.618 442 1040.16 2.603 57 1038.70 2.600 142 482.30 1.207 462 477.66 1.196 479 474.85 1.189 1000 470.34 1.177 984 467.41 1.170 487 462.89 1.159 439
in DMSO-d6
KBr disc
nujol mull
