月桂酸乙酯(106-33-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:月桂酸乙酯

CAS:106-33-2

分子式:C14H28O2

分子量: 228.37

InChI:InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3

InChIKey: MMXKVMNBHPAILY-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCCCCCC

Mass

MS-NW-0459          
ethyl laurate
C14H28O2            (Mass of molecular ion:    228)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       2.7
      18.0      12.6
      26.0       1.1
      27.0       7.7
      28.0      14.1
      29.0      20.0
      31.0       1.1
      32.0       3.7
      39.0       4.2
      40.0       1.5
      41.0      18.5
      42.0       5.2
      43.0      20.7
      44.0       5.9
      45.0       6.4
      53.0       1.3
      54.0       1.6
      55.0      15.2
      56.0       3.9
      57.0      13.1
      59.0       1.1
      60.0      12.0
      61.0      13.8
      67.0       2.7
      68.0       3.0
      69.0       9.6
      70.0      12.8
      71.0       5.2
      73.0      16.2
      74.0       2.7
      81.0       2.1
      82.0       1.0
      83.0       5.7
      84.0       3.7
      85.0       3.4
      87.0       2.8
      88.0     100.0
      89.0      11.2
      90.0       1.0
      95.0       2.0
      97.0       4.3
      98.0       3.9
     101.0      46.7
     102.0       4.0
     106.0       1.2
     109.0       1.0
     111.0       1.4
     115.0       5.5
     129.0       3.5
     130.0       1.0
     143.0       5.6
     144.0       1.1
     157.0       9.6
     158.0       1.1
     171.0       1.8
     183.0      13.2
     184.0       1.8
     185.0       7.3
     186.0       1.3
     199.0       2.6
     228.0       8.3
     229.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₂₈ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl laurate

    Assign.     Shift(ppm)

      A             4.119
      B             2.27
      C             1.61
      D          1.52 to 1.04
      E             1.251
      F             0.88

     Hz     ppm     Int.

    379.94   4.243     54
    372.75   4.163    180
    365.63   4.083    190
    358.56   4.004     64
    212.38   2.372     32
    211.38   2.361     33
    204.88   2.288     88
    197.13   2.202     75
    119.00   1.329    294
    112.81   1.260   1000
    112.00   1.251    938
    104.75   1.170    223
     83.94   0.938     47
     83.63   0.934     47
     82.25   0.919     40
     81.81   0.914     39
     81.44   0.910     38
     78.75   0.880    154
     72.75   0.813     33

in CDCl3