Product Namealpha-D-Methylglucoside
CAS97-30-3
Molecular FormulaC7H14O6
Molecular Weight194.18
InChIInChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7+/s3
InChIKey HOVAGTYPODGVJG-SLEIHLAZNA-N
Smiles[C@@H]1(CO)[C@@H](O)[C@@H]([C@@H](O)[C@@H](OC)O1)O |&1:0,3,5,6,8,r|
Mass
MS-IW-8707 methyl alpha-D-glucopyranoside C7H14O6 (Mass of molecular ion: 194)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
15.0 6.3 17.0 2.4 18.0 12.6 19.0 4.7 26.0 1.9 27.0 6.1 28.0 9.1 29.0 17.9 30.0 4.7 31.0 24.9 32.0 9.9 33.0 5.5 39.0 5.0 40.0 1.4 41.0 6.6 42.0 7.8 43.0 17.6 44.0 8.1 45.0 15.6 47.0 1.9 53.0 2.2 54.0 3.4 55.0 10.5 56.0 13.2 57.0 44.9 58.0 3.5 59.0 8.5 60.0 100.0 61.0 44.2 62.0 1.7 68.0 2.9 69.0 11.5 70.0 8.9 71.0 23.2 72.0 5.7 73.0 65.2 74.0 77.8 75.0 13.7 80.0 1.0 81.0 1.9 83.0 1.1 84.0 3.0 85.0 12.8 86.0 3.8 87.0 10.8 88.0 1.1 89.0 1.9 91.0 2.9 95.0 2.8 96.0 2.8 97.0 9.1 98.0 11.5 99.0 3.3 101.0 1.9 102.0 1.1 103.0 4.8 104.0 4.2 110.0 1.2 113.0 1.7 114.0 1.3 115.0 1.4 116.0 8.0 117.0 1.0 121.0 2.9 126.0 1.8 127.0 3.0 131.0 7.4 133.0 1.6 144.0 6.6 145.0 8.7 163.0 3.5
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C7 H14 O6 | 0.042 g : 0.5 ml DMSO-d6 |
methyl alpha-D-glucopyranoside |
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Assign. Shift(ppm) |
Hz ppm Int.
1944.46 4.866 124 1938.84 4.852 126 1902.83 4.762 102 1897.95 4.750 104 1884.64 4.716 110 1878.17 4.700 111 1807.37 4.523 149 1803.71 4.514 149 1794.07 4.490 53 1788.09 4.475 114 1782.23 4.460 55 1456.54 3.645 31 1452.88 3.636 30 1450.93 3.631 31 1446.90 3.621 41 1444.95 3.616 41 1441.28 3.607 40 1439.21 3.602 36 1385.74 3.468 31 1379.76 3.453 62 1373.90 3.438 61 1368.16 3.424 49 1362.06 3.409 34 1360.11 3.404 31 1354.61 3.390 87 1350.95 3.381 54 1346.44 3.370 50 1341.92 3.358 37 1337.16 3.346 35 1326.90 3.321 36 1324.95 3.316 38 1321.29 3.307 36 1319.09 3.301 34 1317.02 3.296 48 1315.19 3.291 49 1311.40 3.282 44 1309.33 3.277 42 1303.10 3.261 1000 1281.86 3.208 39 1278.20 3.199 41 1275.51 3.192 43 1272.09 3.184 62 1268.55 3.175 34 1265.99 3.168 33 1228.76 3.075 37 1223.14 3.061 38 1219.85 3.053 45 1214.36 3.039 44
in DMSO-d6
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
alpha-D-Methylglucoside(97-30-3) Raman Atlas of Related Products
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