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6556-12-3

D-葡萄糖醛酸(6556-12-3)红外图谱(IR2)

产品名称:D-葡萄糖醛酸

CAS:6556-12-3

分子式:C6H10O7

分子量: 194.14

InChI:InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4-,5-/m0/s1

InChIKey: IAJILQKETJEXLJ-QTBDOELSSA-N

Smiles:O=C[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O)O)O)O

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    Mass

    MS-IW-6589          
    D-glucopyranuronic acid
    C6H10O7             (Mass of molecular ion:    194)
    

       Source Temperature: 170 °C
       Sample Temperature: 220 °C
       Direct, 75 eV
    

          14.0       1.6
          15.0       5.8
          16.0       1.3
          17.0      14.6
          18.0      62.3
          19.0       8.8
          26.0       4.2
          27.0       7.6
          28.0      53.0
          29.0      24.0
          30.0       8.7
          31.0      17.3
          32.0       2.9
          38.0       1.3
          39.0       6.7
          40.0       2.6
          41.0       2.5
          42.0      13.2
          43.0      23.8
          44.0      50.7
          45.0      10.9
          47.0       3.9
          53.0       1.3
          54.0       2.9
          55.0      10.7
          56.0       4.8
          57.0      16.6
          58.0      14.0
          59.0       2.5
          60.0      32.2
          61.0      21.6
          68.0       3.5
          69.0       1.8
          70.0       1.2
          71.0      19.3
          72.0      11.9
          73.0     100.0
          74.0       3.9
          76.0      17.5
          77.0       1.3
          83.0      10.9
          84.0       7.3
          85.0       7.8
          86.0       5.2
          87.0       1.1
          88.0       1.0
          89.0       2.8
          91.0       4.9
          95.0       3.4
          96.0       5.1
          97.0       1.3
          99.0       1.2
         100.0       2.1
         101.0      40.2
         102.0       4.0
         103.0       1.0
         112.0       1.5
         113.0       1.4
         114.0       4.7
         119.0      19.5
         131.0       1.4
         147.0       5.4
         159.0       2.3
         176.0       4.3
    

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KBr disc

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nujol mull

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