甲基-Β-D-阿拉伯吡喃糖苷(5328-63-2)紅外圖譜(IR1)
InChI:InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/s3
InChIKey: ZBDGHWFPLXXWRD-ZSYVZJKANA-N
Smiles:[C@@H]1(OC)OC[C@@H](O)[C@@H](O)[C@@H]1O |&1:0,5,7,9,r|
-
Mass
MS-NW-9605
(-)-methyl beta-D-arabinopyranoside
C6H12O5 (Mass of molecular ion: 164)
Source Temperature: 160 °C
Sample Temperature: 110 °C
Direct, 75 eV
15.0 5.3
17.0 1.2
18.0 6.5
19.0 4.0
27.0 3.2
28.0 3.7
29.0 7.0
30.0 1.2
31.0 9.1
33.0 6.4
39.0 1.3
41.0 4.1
42.0 5.5
43.0 17.0
44.0 6.3
45.0 11.3
55.0 2.9
56.0 1.9
57.0 16.7
58.0 4.4
59.0 6.4
60.0 100.0
61.0 35.9
62.0 1.3
68.0 1.0
69.0 3.9
71.0 16.3
72.0 1.3
73.0 70.4
74.0 46.3
75.0 3.3
85.0 4.1
86.0 8.0
87.0 4.7
91.0 2.0
100.0 3.5
103.0 1.2
114.0 2.4
115.0 3.6
116.0 1.6
133.0 8.6
400 MHz in D2O
400 MHz in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C6 H12 O5
|
0.038 g : 0.5 ml D2O
|
| (-)-methyl beta-D-arabinopyranoside
|
 |
Assign. Shift(ppm)
A 3.996
B 3.876
C 3.84
D 3.656
E 3.411
THE SOLVENT PEAK SUPPRESSED.
|
Hz ppm Int.
1597.66 3.998 83
1596.31 3.995 92
1554.44 3.890 62
1553.59 3.888 71
1545.29 3.867 29
1541.75 3.858 91
1540.77 3.856 97
1535.40 3.842 175
1532.96 3.836 250
1531.01 3.831 176
1467.77 3.673 85
1465.58 3.668 91
1454.96 3.641 67
1452.88 3.636 68
1363.16 3.411 1000
-
| 1H NMR |
399.65 MHz |
| C6 H12 O5
|
0.035 g : 0.5 ml DMSO-d6
|
| (-)-methyl beta-D-arabinopyranoside
|
|
Assign. Shift(ppm)
A *1 4.56
B *1 4.55
C *1 4.52
D 4.503
E *2 3.683
F 3.57
G *2 3.54
J 3.418
K 3.259
|
Hz ppm Int.
1825.56 4.568 94
1822.75 4.561 123
1821.04 4.557 80
1819.34 4.553 134
1817.38 4.548 109
1808.23 4.525 119
1805.54 4.518 108
1801.39 4.508 109
1798.10 4.500 106
1797.49 4.498 107
1474.61 3.690 41
1471.92 3.684 56
1468.87 3.676 45
1431.64 3.583 51
1431.03 3.581 52
1425.05 3.566 62
1421.88 3.558 101
1419.07 3.551 170
1417.85 3.548 135
1414.06 3.539 54
1372.80 3.436 85
1369.87 3.428 80
1360.96 3.406 61
1358.03 3.399 65
1302.49 3.260 1000