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62147-49-3

1,3-二羟基丙酮二聚体(62147-49-3)红外图谱(IR1)

分子式:C6H12O6

分子量: 180.16

InChI:InChI=1/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2/t5-,6+

InChIKey: KEQUNHIAUQQPAC-OLQVQODUNA-N

Smiles:O1C[C@](O)(CO)OC[C@@]1(O)CO |&1:2,8,r|

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    Mass

    MS-NW-4780          
    1,3-dihydroxyacetone dimer
    C6H12O6             (Mass of molecular ion:    180)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          14.0       2.7
          15.0      10.3
          17.0       7.5
          18.0      35.8
          19.0       2.3
          26.0       1.6
          27.0       2.4
          28.0       5.7
          29.0      20.7
          30.0       4.6
          31.0     100.0
          32.0       9.0
          33.0      12.7
          40.0       1.1
          41.0       1.2
          42.0      14.7
          43.0      30.6
          44.0       2.6
          45.0       3.8
          46.0       1.5
          55.0       1.9
          56.0       2.6
          57.0       3.5
          59.0       2.2
          60.0       7.0
          61.0       4.5
          62.0       4.2
          72.0       9.7
          73.0       5.6
          74.0       2.8
          85.0       2.3
          86.0       1.1
          87.0       1.1
          88.0       1.2
          91.0       1.0
         101.0       1.1
         103.0       1.5
         114.0       1.0
         115.0       2.0
         127.0       2.0
         131.0       3.1
         145.0       1.0
    

KBr disc

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nujol mull

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