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返回ChemicalBook首页>CAS数据库列表>709-50-2更多图谱> 甲基 Β-D-吡喃葡萄糖苷(709-50-2)红外图谱(IR1)

709-50-2

甲基 Β-D-吡喃葡萄糖苷(709-50-2)红外图谱(IR1)

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|

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    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

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    1H NMR 399.65 MHz
    C7 H14 O6 0.038 g : 0.5 ml D2O
    methyl beta-D-glucopyranoside
    ChemicalStructure
        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

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KBr disc

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nujol mull

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4880 A,200 M,powder

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