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返回ChemicalBook首页>CAS数据库列表>5436-21-5更多图谱> 4,4-二甲氧基-2-丁酮(5436-21-5)红外图谱(IR2)

5436-21-5

4,4-二甲氧基-2-丁酮(5436-21-5)红外图谱(IR2)

分子式:C6H12O3

分子量: 132.16

InChI:InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3

InChIKey: PJCCSZUMZMCWSX-UHFFFAOYSA-N

Smiles:CC(=O)CC(OC)OC

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    Mass

    MS-NW-1041          
    4,4-dimethoxy-2-butanone
    C6H12O3             (Mass of molecular ion:    132)
    

       Source Temperature: 250 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          14.0       1.2
          15.0      10.7
          18.0       2.0
          26.0       1.2
          27.0       5.0
          28.0       2.6
          29.0       6.5
          31.0      11.7
          32.0       3.1
          33.0       1.4
          39.0       1.5
          41.0       1.3
          42.0       4.4
          43.0     100.0
          44.0       2.5
          45.0       1.3
          47.0      11.4
          53.0       1.0
          57.0       1.6
          58.0       7.0
          59.0       6.4
          71.0       1.5
          75.0      52.5
          76.0       1.9
          85.0      24.2
          86.0       1.2
          89.0       1.1
         100.0       3.3
         101.0      12.2
         117.0       9.4
         132.0       1.4
    

90 MHz in CDCl3

parameter in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 O3 0.04 ml : 0.5 ml CDCl3
    4,4-dimethoxy-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.791 B 3.362 C 2.741 D 2.185

         Hz     ppm     Int.
    

        434.81   4.855     30
        429.25   4.793     63
        423.69   4.731     33
        301.06   3.362   1000
        248.25   2.772     96
        242.69   2.710     89
        195.69   2.186    349
    

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    1H NMR 300 MHz
    C6 H12 O3 in CCl4
    4,4-dimethoxy-2-butanone
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.08 D(B) 2.58 D(C) 4.65 J(B,C) 5.6 D(D) 3.27 GEORGE,W.O. & MANSELL,V.G. J.CHEM.SOC. B 1968, 132

         Hz     ppm     Int.
    

       1400.62   4.669     41
       1395.02   4.650     83
       1389.44   4.631     43
        981.00   3.270   1000
        776.80   2.589    169
        771.20   2.571    166
        624.00   2.080    500
    

in CDCl3

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CCl4 solution

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liquid film

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