METHYL-ALPHA-D-MANNOPYRANOSIDE(617-04-9) Raman
Product NameMETHYL-ALPHA-D-MANNOPYRANOSIDE
CAS617-04-9
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-NADHCKOZNA-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|
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MassMS-NW-2268 methyl alpha-D-mannopyranoside C7H14O6 (Mass of molecular ion: 194)
Source Temperature: 220 °C Sample Temperature: 160 °C Direct, 75 eV
15.0 11.3 17.0 2.0 18.0 10.3 19.0 7.5 26.0 1.3 27.0 7.3 28.0 6.4 29.0 16.2 30.0 2.9 31.0 22.5 32.0 3.0 33.0 7.6 39.0 3.0 41.0 5.9 42.0 7.4 43.0 16.5 44.0 6.5 45.0 18.3 47.0 1.5 53.0 1.0 54.0 1.4 55.0 8.1 56.0 12.3 57.0 41.8 58.0 2.4 59.0 9.8 60.0 100.0 61.0 40.5 62.0 1.4 69.0 8.1 70.0 6.6 71.0 24.5 72.0 3.5 73.0 48.9 74.0 79.3 75.0 15.9 85.0 9.0 86.0 2.7 87.0 9.2 89.0 1.3 91.0 1.5 97.0 5.6 98.0 6.9 99.0 2.1 101.0 1.4 103.0 3.7 104.0 2.7 116.0 5.4 121.0 1.7 127.0 2.3 131.0 4.7 133.0 1.0 144.0 3.5 145.0 6.4 163.0 2.0
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 methyl alpha-D-mannopyranoside 
Assign. Shift(ppm)
A *1 4.70 B *1 4.70 C *1 4.55 D 4.490 E 4.45 F 3.658 G 3.587 J 3.44 K 3.41 L 3.34 M 3.243 N 3.24 ASSIGNED BY C-H COSY
Hz ppm Int.1881.47 4.708 243 1880.98 4.707 257 1877.08 4.697 215 1875.49 4.693 221 1821.41 4.558 176 1815.43 4.543 176 1795.41 4.493 139 1793.95 4.489 149 1786.25 4.470 72 1780.27 4.455 176 1774.17 4.440 76 1472.66 3.685 30 1470.46 3.680 32 1466.67 3.670 30 1464.48 3.665 34 1460.94 3.656 41 1458.86 3.651 40 1454.96 3.641 39 1452.88 3.636 39 1438.48 3.600 46 1436.89 3.596 48 1435.18 3.592 58 1433.72 3.588 76 1432.50 3.585 59 1430.79 3.581 52 1429.08 3.576 50 1387.08 3.471 35 1380.86 3.456 71 1376.95 3.446 39 1374.63 3.440 64 1370.97 3.431 37 1369.14 3.426 72 1367.92 3.423 82 1364.50 3.415 58 1362.18 3.409 68 1358.64 3.400 51 1351.44 3.382 57 1346.19 3.369 46 1342.16 3.359 68 1336.67 3.345 74 1332.89 3.336 35 1327.39 3.322 36 1309.08 3.276 35 1307.01 3.271 44 1305.05 3.266 47 1300.66 3.255 54 1296.26 3.244 1000 1291.38 3.232 38 1289.31 3.227 30 1283.45 3.212 38
in D2O
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
