2345-28-0

2-十五烷酮(2345-28-0)核磁图(¹³CNMR)

产品名称:2-十五烷酮

CAS:2345-28-0

分子式:C15H30O

分子量: 226.4

InChI:InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3

InChIKey: CJPNOLIZCWDHJK-UHFFFAOYSA-N

Smiles:CC(=O)CCCCCCCCCCCCC

Mass

MS-IW-0215          
2-pentadecanone
C15H30O             (Mass of molecular ion:    226)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.7
      27.0       3.2
      29.0       8.7
      39.0       2.4
      41.0      18.3
      42.0       3.9
      43.0      62.4
      44.0       1.7
      53.0       1.1
      54.0       1.9
      55.0      14.1
      56.0       8.0
      57.0      20.6
      58.0     100.0
      59.0      63.1
      60.0       2.3
      67.0       4.0
      68.0       3.3
      69.0       9.4
      70.0       5.1
      71.0      39.9
      72.0       4.0
      81.0       4.8
      82.0       9.8
      83.0       7.1
      84.0       3.4
      85.0      14.2
      86.0       1.6
      95.0       4.6
      96.0      11.5
      97.0       6.5
      98.0       2.1
      99.0       1.6
     100.0       2.4
     109.0       2.4
     110.0       3.9
     111.0       4.0
     112.0       1.4
     113.0       2.3
     114.0       2.5
     123.0       1.2
     124.0       2.2
     125.0       2.4
     126.0       1.0
     127.0       3.3
     128.0       1.2
     138.0       1.7
     139.0       1.0
     140.0       1.1
     166.0       2.8
     168.0       3.7
     169.0       1.1
     183.0       1.3
     208.0       1.0
     211.0       2.0
     226.0       4.5
     227.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₃₀ O	0.031 g : 0.5 ml CDCl₃
2-pentadecanone

    Assign.     Shift(ppm)

      A             2.415
      B             2.132
      C             1.57
      D          1.31 to 1.27
      E             1.26
      F             0.879

     Hz     ppm     Int.

    973.02   2.435     89
    965.45   2.416    151
    958.01   2.398     98
    852.42   2.133    708
    632.81   1.584     35
    625.61   1.566     50
    618.41   1.548     34
    524.90   1.314     34
    519.65   1.301     59
    519.41   1.300     59
    508.42   1.273    303
    501.83   1.256   1000
    358.64   0.898     98
    351.93   0.881    307
    344.85   0.863    121

in CDCl3