甲基-Β-D-阿拉伯吡喃糖苷(5328-63-2)紅外圖譜(IR1)

產(chǎn)品名稱:甲基-Β-D-阿拉伯吡喃糖苷

CAS:5328-63-2

分子式:C6H12O5

分子量: 164.16

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

in DMSO-d6

in D2O