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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₁₂ H₂₄ O	0.05 ml : 0.5 ml CDCl₃
2-dodecanone

    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