709-50-2

甲基 Β-D-吡喃葡萄糖苷(709-50-2)红外图谱(IR1)

产品名称:甲基 Β-D-吡喃葡萄糖苷

CAS:709-50-2

分子式:C7H14O6

分子量: 194.18

InChI:InChI=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

Smiles:O(C)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |&1:2,4,7,9,11,r|

Mass

MS-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