693-54-9

2-癸酮(693-54-9)質(zhì)譜(MS)

產(chǎn)品名稱:2-癸酮

CAS:693-54-9

分子式:C10H20O

分子量: 156.27

InChI:InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3

InChIKey: ZAJNGDIORYACQU-UHFFFAOYSA-N

Smiles:CC(=O)CCCCCCCC

Mass

MS2014-05071CW      
2-decanone
C10H20O             (Mass of molecular ion:    156)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      15.0       1.4
      27.0       7.4
      28.0      16.7
      29.0       8.8
      32.0       4.3
      39.0       7.2
      40.0       1.7
      41.0      19.6
      42.0       4.3
      43.0      64.3
      44.0       1.5
      53.0       2.2
      54.0       1.6
      55.0       9.6
      56.0       4.5
      57.0      14.9
      58.0     100.0
      59.0      24.1
      67.0       2.2
      68.0       1.2
      69.0       3.0
      70.0       2.3
      71.0      28.5
      72.0       2.0
      81.0       2.5
      82.0       2.2
      83.0       1.0
      85.0       5.1
      95.0       1.3
      96.0       5.4
      98.0       6.5
      99.0       1.2
     100.0       1.4
     113.0       2.7
     114.0       1.0
     127.0       2.0
     138.0       1.0
     141.0       3.6
     156.0      10.6
     157.0       1.2

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₀ O	0.04 ml : 0.5 ml CDCl₃
2-decanone

    Assign.     Shift(ppm)

      A             2.41
      B             2.129
      C             1.57
      D          1.45 to 1.10
      E             0.88

     Hz     ppm     Int.

    223.44   2.495     49
    216.69   2.420    109
    209.13   2.336     92
    190.50   2.128   1000
    141.00   1.575     37
    140.50   1.569     38
    140.13   1.565     38
    138.19   1.543     32
    137.38   1.534     31
    136.81   1.528     30
    135.63   1.515     30
    134.88   1.507     30
    134.25   1.499     31
    133.69   1.493     31
    133.00   1.486     33
    132.69   1.482     33
    132.19   1.476     32
    131.75   1.472     31
    126.94   1.418     38
    126.56   1.414     37
    126.00   1.407     37
    124.44   1.390     47
    122.19   1.365     60
    113.75   1.271    568
    106.06   1.185     46
    103.31   1.154     30
     83.88   0.937     62
     83.00   0.927     56
     81.56   0.911     50
     81.13   0.906     49
     78.63   0.878    213
     74.31   0.830     30
     72.63   0.811     43
     71.69   0.801     34

in CDCl3