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110-13-4

2,5-己二酮(110-13-4)红外图谱(IR1)

产品名称:2,5-己二酮

CAS:110-13-4

分子式:C6H10O2

分子量: 114.14

InChI:InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

InChIKey: OJVAMHKKJGICOG-UHFFFAOYSA-N

Smiles:CC(=O)CCC(=O)C

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    Mass

    MS-NW-1214          
    2,5-hexanedione
    C6H10O2             (Mass of molecular ion:    114)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       6.4
          27.0       3.8
          28.0       1.7
          39.0       1.6
          41.0       1.6
          42.0       3.1
          43.0     100.0
          44.0       2.5
          45.0       1.2
          53.0       1.0
          55.0       1.0
          57.0       5.4
          71.0      11.7
          72.0       2.7
          99.0      22.1
         100.0       1.2
         114.0       5.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H10 O2 0.04 ml : 0.5 ml CDCl3
    2,5-hexanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.71 B 2.19

         Hz     ppm     Int.
    

        242.56   2.709    589
        196.00   2.189   1000
        193.44   2.160     27
    

in CDCl3

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CCl4 solution

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liquid film

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