629-23-2

乙基十一基酮(629-23-2)核磁图(¹³CNMR)

产品名称:乙基十一基酮

CAS:629-23-2

分子式:C14H28O

分子量: 212.37

InChI:InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3

InChIKey: OCHYRSKMMMYUMI-UHFFFAOYSA-N

Smiles:CCC(=O)CCCCCCCCCCC

Mass

MS-KW-0540          
3-tetradecanone
C14H28O             (Mass of molecular ion:    212)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.8
      27.0       5.4
      28.0       1.7
      29.0      25.2
      39.0       3.1
      41.0      19.2
      42.0       4.5
      43.0      43.1
      44.0       1.5
      53.0       1.4
      54.0       1.6
      55.0      14.9
      56.0       4.7
      57.0      88.4
      58.0       6.0
      59.0       1.2
      67.0       3.9
      68.0       1.5
      69.0       5.4
      70.0       2.1
      71.0      20.3
      72.0     100.0
      73.0      32.5
      74.0       1.6
      81.0       4.5
      82.0       1.8
      83.0       6.2
      84.0       1.9
      85.0      29.9
      86.0       3.7
      95.0       8.6
      96.0       3.2
      97.0       3.6
      98.0       1.6
      99.0       5.2
     109.0       5.6
     110.0       2.0
     111.0       1.1
     113.0       1.4
     114.0       2.2
     123.0       1.7
     127.0       1.0
     128.0       1.1
     138.0       2.7
     140.0       1.3
     141.0       1.4
     183.0      29.0
     184.0       4.1
     212.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄H₂₈O	0.039 g : 0.5 ml CDCl₃
3-tetradecanone

    Assign.     Shift(ppm)

     A           2.418
     B           2.390
     C           1.569
     D           1.26
     E           1.050
     F           0.879

     Hz     ppm     Int.

    977.42   2.445     96
    970.10   2.427    269
    962.77   2.409    430
    955.45   2.390    338
    948.13   2.372    169
    633.43   1.585     65
    626.10   1.567     83
    620.00   1.551     53
    502.69   1.258   1000
    426.76   1.068    381
    419.44   1.050    723
    411.99   1.031    356
    363.90   0.911     31
    358.16   0.896    160
    351.45   0.880    460
    344.49   0.862    185

in CDCl3