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6175-49-1

2-十二烷酮(6175-49-1)质谱(MS)

产品名称:2-十二烷酮

CAS:6175-49-1

分子式:C12H24O

分子量: 184.32

InChI:InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3

InChIKey: LSKONYYRONEBKA-UHFFFAOYSA-N

Smiles:CC(=O)CCCCCCCCCC

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    Mass

    MS-NW-9346          
    2-dodecanone
    C12H24O             (Mass of molecular ion:    184)
    

       Source Temperature: 270 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       1.5
          27.0       5.4
          28.0       1.7
          29.0      10.2
          39.0       3.5
          41.0      17.0
          42.0       4.0
          43.0      75.3
          44.0       2.1
          53.0       1.1
          54.0       1.8
          55.0       9.7
          56.0       4.3
          57.0      13.1
          58.0     100.0
          59.0      30.9
          60.0       1.2
          67.0       2.6
          68.0       2.0
          69.0       4.0
          70.0       2.8
          71.0      29.0
          72.0       2.3
          81.0       2.4
          82.0       4.1
          83.0       2.7
          84.0       2.1
          85.0       7.0
          95.0       2.7
          96.0       2.7
          97.0       2.4
          98.0       1.0
         124.0       2.3
         126.0       3.1
         127.0       1.4
         169.0       1.1
         184.0       2.6
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H24 O 0.05 ml : 0.5 ml CDCl3
    2-dodecanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.417 B 2.129 C 1.566 D 1.28 E 1.26 F 0.878

         Hz     ppm     Int.
    

        973.75   2.437    145
        966.43   2.419    242
        958.86   2.400    157
        850.95   2.130   1000
        639.89   1.602     21
        633.06   1.585     62
        625.73   1.566     86
        618.65   1.548     58
        509.52   1.275    478
        503.91   1.261    795
        484.62   1.213     32
        358.03   0.896    156
        351.32   0.880    475
        344.24   0.862    197
        341.43   0.855     35
    

in CDCl3

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liquid film

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