METHYL BETA-D-GLUCOPYRANOSIDE(709-50-2) 13C NMR
Product NameMETHYL BETA-D-GLUCOPYRANOSIDE
CAS709-50-2
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-MWIRRNGZNA-N
SmilesO(C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:2,4,7,9,11,r|
-
MassMS-IW-8708 methyl beta-D-glucopyranoside C7H14O6 (Mass of molecular ion: 194)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 1.0 15.0 6.2 17.0 2.7 18.0 14.5 19.0 4.5 26.0 2.2 27.0 6.0 28.0 13.3 29.0 18.4 30.0 5.2 31.0 23.1 32.0 9.4 33.0 5.6 39.0 5.2 40.0 1.6 41.0 6.2 42.0 8.6 43.0 16.3 44.0 8.6 45.0 14.6 47.0 2.0 52.0 1.1 53.0 2.2 54.0 2.9 55.0 10.5 56.0 15.7 57.0 48.1 58.0 3.7 59.0 6.5 60.0 100.0 61.0 41.8 62.0 1.6 68.0 3.1 69.0 10.5 70.0 8.8 71.0 28.4 72.0 5.6 73.0 61.4 74.0 54.0 75.0 14.6 80.0 1.2 81.0 1.8 84.0 2.7 85.0 8.5 86.0 3.4 87.0 7.8 89.0 1.8 91.0 1.4 95.0 3.1 96.0 3.2 97.0 8.7 98.0 10.6 99.0 3.0 101.0 1.5 102.0 1.0 103.0 4.9 104.0 3.7 110.0 1.2 113.0 1.3 115.0 1.2 116.0 6.7 121.0 2.7 126.0 1.6 127.0 1.1 131.0 11.3 133.0 1.4 144.0 6.0 145.0 4.9 163.0 4.7
400 MHz in D2O
-
1H NMR 399.65 MHz C7 H14 O6 0.038 g : 0.5 ml D2O methyl beta-D-glucopyranoside 
Assign. Shift(ppm)
A 4.383 B *1 3.930 C *1 3.729 D 3.577 E 3.488 F 3.465 G 3.384 J 3.264 SOLVENT PEAK REMOVED
Hz ppm Int.1755.98 4.394 181 1747.92 4.374 192 1578.86 3.951 63 1576.66 3.946 70 1566.53 3.920 84 1564.33 3.915 86 1498.66 3.750 80 1492.68 3.735 89 1486.33 3.720 60 1480.47 3.705 66 1429.81 3.578 1000 1405.27 3.517 72 1396.24 3.494 166 1392.58 3.485 38 1388.92 3.476 39 1386.96 3.471 151 1385.13 3.466 62 1382.93 3.461 61 1379.15 3.451 56 1376.95 3.446 48 1359.99 3.403 133 1350.95 3.381 90 1350.34 3.379 94 1341.31 3.357 51 1312.74 3.285 109 1304.81 3.265 111 1303.47 3.262 102 1295.53 3.242 83
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
