十四酸乙酯(124-06-1)質(zhì)譜(MS)

產(chǎn)品名稱:十四酸乙酯

CAS:124-06-1

分子式:C16H32O2

分子量: 256.42

InChI:InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3

InChIKey: MMKRHZKQPFCLLS-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCCCCCCCC

Mass

MS-NW-3755          
ethyl myristate
C16H32O2            (Mass of molecular ion:    256)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.0
      27.0       5.1
      28.0       2.7
      29.0      14.4
      39.0       2.4
      41.0      16.2
      42.0       4.1
      43.0      19.6
      45.0       4.6
      54.0       1.2
      55.0      12.8
      56.0       3.5
      57.0      12.0
      60.0       7.7
      61.0       9.9
      67.0       1.9
      68.0       1.1
      69.0       8.0
      70.0      10.0
      71.0       5.2
      73.0      11.8
      74.0       1.5
      81.0       1.6
      83.0       4.7
      84.0       3.3
      85.0       2.6
      87.0       1.7
      88.0     100.0
      89.0      13.7
      95.0       1.5
      97.0       3.9
      98.0       3.7
     101.0      47.4
     102.0       4.2
     111.0       1.9
     115.0       5.1
     129.0       1.9
     143.0       4.7
     144.0       1.0
     157.0      11.3
     158.0       1.3
     171.0       2.0
     185.0       1.3
     199.0       1.9
     211.0       8.5
     212.0       1.3
     213.0       7.0
     214.0       1.2
     227.0       1.7
     256.0      11.9
     257.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₃₂ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl myristate

    Assign.     Shift(ppm)

      A             4.120
      B             2.28
      C             1.61
      D          1.49 to 1.04
      E             1.251
      F             0.89
     
     J(A,E)=7.1HZ.

     Hz     ppm     Int.

    379.94   4.243     31
    372.75   4.163    109
    365.63   4.083    114
    358.56   4.004     37
    204.94   2.289     50
    197.13   2.202     43
    124.19   1.387     24
    119.06   1.330    185
    112.69   1.259   1000
    112.00   1.251    709
    104.75   1.170    135
     84.13   0.940     26
     82.94   0.927     23
     78.81   0.880     89

in CDCl3