111-61-5

十八酸乙酯(111-61-5)Raman光谱

产品名称:十八酸乙酯

CAS:111-61-5

分子式:C20H40O2

分子量: 312.53

InChI:InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3

InChIKey: MVLVMROFTAUDAG-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCCCCCCCCCCCC

Mass

MS-NW-3781          
ethyl stearate
C20H40O2            (Mass of molecular ion:    312)

   Source Temperature: 190 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       3.4
      28.0       1.3
      29.0      12.6
      39.0       1.7
      41.0      14.8
      42.0       3.4
      43.0      22.6
      45.0       3.0
      54.0       1.2
      55.0      13.6
      56.0       3.3
      57.0      14.2
      60.0       5.1
      61.0       6.7
      67.0       2.0
      68.0       1.0
      69.0       8.4
      70.0       6.9
      71.0       6.0
      73.0       8.0
      74.0       1.0
      81.0       1.8
      83.0       5.6
      84.0       2.6
      85.0       3.2
      87.0       1.3
      88.0     100.0
      89.0      22.2
      90.0       1.2
      95.0       1.6
      97.0       4.3
      98.0       2.6
     101.0      45.5
     102.0       4.0
     111.0       2.1
     115.0       4.6
     125.0       1.1
     129.0       1.9
     130.0       1.1
     143.0       4.9
     144.0       1.5
     157.0      13.2
     158.0       1.6
     171.0       1.3
     185.0       1.2
     199.0       2.1
     213.0       3.2
     227.0       1.4
     239.0       1.4
     241.0       1.9
     255.0       1.2
     267.0       4.7
     269.0       4.5
     270.0       1.0
     283.0       1.1
     284.0       6.5
     285.0       1.3
     298.0       1.2
     312.0      24.2
     313.0       5.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₀ H₄₀ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl stearate

    Assign.     Shift(ppm)

      A             4.119
      B             2.28
      C             1.62
      D             1.251
      E          1.43 to 1.09
      F             0.89

     Hz     ppm     Int.

    372.75   4.163     65
    365.63   4.083     69
    358.50   4.003     22
    204.81   2.287     29
    197.13   2.202     26
    119.00   1.329    114
    112.69   1.259   1000
    104.75   1.170     85
     78.81   0.880     53

in CDCl3