110-38-3

癸酸乙酯(110-38-3)Raman光谱

产品名称:癸酸乙酯

CAS:110-38-3

分子式:C12H24O2

分子量: 200.32

InChI:InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3

InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCCCC

Mass

MS-NW-0455          
ethyl decanoate
C12H24O2            (Mass of molecular ion:    200)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.3
      27.0       8.7
      28.0       2.3
      29.0      22.6
      39.0       3.8
      41.0      19.1
      42.0       5.4
      43.0      22.1
      45.0       8.3
      53.0       1.1
      54.0       1.2
      55.0      13.2
      56.0       4.0
      57.0      11.4
      59.0       1.1
      60.0      17.9
      61.0      17.5
      67.0       1.8
      68.0       1.3
      69.0       8.8
      70.0      14.1
      71.0       8.5
      73.0      18.7
      74.0       2.7
      81.0       2.0
      83.0       3.9
      84.0       3.9
      85.0       4.4
      87.0       3.0
      88.0     100.0
      89.0       8.6
      95.0       1.6
      97.0       2.9
      98.0       2.9
     101.0      41.1
     102.0       3.9
     111.0       1.1
     115.0       6.3
     129.0       2.6
     143.0       3.7
     155.0      14.4
     156.0       1.6
     157.0       9.9
     158.0       1.2
     171.0       1.7
     200.0       2.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₂₄ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl decanoate

    Assign.     Shift(ppm)

      A             4.119
      B             2.28
      C             1.61
      D          1.49 to 1.06
      E             1.251
      F             0.88
     
     J(A,E)=7.1HZ.

     Hz     ppm     Int.

    379.94   4.243     71
    372.75   4.163    245
    365.63   4.083    257
    358.63   4.005     84
    212.56   2.374     43
    211.44   2.361     42
    204.94   2.289    114
    197.81   2.209     86
    197.13   2.202    101
    146.25   1.633     31
    145.63   1.627     35
    144.94   1.619     36
    144.50   1.614     37
    144.13   1.610     37
    143.81   1.606     37
    143.50   1.603     37
    143.06   1.598     36
    137.75   1.539     30
    122.81   1.372     56
    119.00   1.329    407
    113.56   1.268    657
    111.94   1.250   1000
    104.75   1.170    299
     83.88   0.937     60
     83.75   0.936     60
     82.38   0.920     52
     81.44   0.910     51
     81.13   0.906     49
     78.63   0.878    202
     72.56   0.811     41

in CDCl3