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3002-23-1

6-甲基-2,4-庚二酮(3002-23-1)核磁图(13CNMR)

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3

InChIKey: IGMOYJSFRIASIE-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3312          
    6-methyl-2,4-heptanedione
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.2
          27.0       7.9
          29.0       7.6
          31.0       2.0
          39.0       7.7
          40.0       1.4
          41.0      16.2
          42.0       3.5
          43.0      65.0
          44.0       1.5
          53.0       1.2
          55.0       1.9
          56.0       1.9
          57.0      24.5
          58.0      10.1
          67.0       1.6
          69.0       4.2
          71.0       2.8
          72.0       2.2
          84.0       1.3
          85.0     100.0
          86.0       4.7
         100.0      24.3
         101.0       1.5
         109.0       1.2
         127.0      14.2
         128.0       1.2
         142.0      10.8
         143.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H14 O2 0.05 ml : 0.5 ml CDCl3
    6-methyl-2,4-heptanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    B 5.490 C 3.565 D 2.390 E 2.230 F 2.057 J 0.948 K 0.926 impurity signals between 2.15 and 2.1 ppm removed.

         Hz     ppm     Int.
    

       2194.21   5.491    470
       1424.93   3.566     93
        958.98   2.400     57
        952.03   2.383     66
        891.48   2.231    186
        841.55   2.106     28
        840.33   2.103     59
        834.23   2.088     76
        831.91   2.082     32
        828.13   2.073     91
        826.17   2.068     75
        822.27   2.058   1000
        814.94   2.040     34
        813.60   2.036     42
        803.83   2.012     29
        381.96   0.956    900
        375.49   0.940    830
        373.54   0.935    337
        366.82   0.918    245
    

in CDCl3

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liquid film

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