3-O-METHYL-ALPHA-D-GLUCOPYRANOSE(13224-94-7) Raman
Product Name3-O-METHYL-ALPHA-D-GLUCOPYRANOSE
CAS13224-94-7
Molecular FormulaC7H14O6
Molecular Weight194.18
InChIInChI=1/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/s3
InChIKey SCBBSJMAPKXHAH-IHACGYQTNA-N
Smiles[C@@H]1(OC)[C@@H](O)[C@H](O[C@H](CO)[C@H]1O)O |&1:0,3,5,7,10,r|
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H14 O6 0.040 g : 0.5 ml DMSO-d6 3-O-methyl-alpha-D-glucopyranose 
Assign. Shift(ppm)
A 6.32 B 4.93 C 4.889 D 4.63 E 4.39 F 3.57 G 3.476 J 3.45 K 3.18 L 3.13 ASSIGNED BY H-H COSY
Hz ppm Int.2529.42 6.330 130 2525.02 6.319 125 1972.78 4.937 159 1966.80 4.922 172 1957.52 4.899 60 1954.83 4.892 71 1953.13 4.888 66 1950.32 4.881 61 1853.27 4.638 93 1850.22 4.630 48 1848.63 4.626 46 1846.07 4.620 92 1760.25 4.405 55 1754.15 4.390 105 1748.66 4.376 68 1439.94 3.604 32 1436.77 3.596 31 1434.45 3.590 55 1432.50 3.585 51 1429.08 3.576 82 1424.32 3.564 97 1419.56 3.553 47 1417.48 3.547 36 1389.16 3.476 1000 1384.89 3.466 66 1378.54 3.450 63 1372.44 3.435 39 1275.63 3.192 85 1272.83 3.185 65 1272.22 3.184 64 1270.02 3.178 135 1267.58 3.172 126 1259.03 3.151 36 1253.05 3.136 32 1249.63 3.127 40 1243.77 3.113 36
in DMSO-d6
KBr disc
nujol mull
