123-29-5

壬酸乙酯(123-29-5)質(zhì)譜(MS)

產(chǎn)品名稱:壬酸乙酯

CAS:123-29-5

分子式:C11H22O2

分子量: 186.29

InChI:InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3

InChIKey: BYEVBITUADOIGY-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCCC

Mass

MS-NW-0513          
ethyl nonanoate
C11H22O2            (Mass of molecular ion:    186)

   Source Temperature: 240 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      18.0       2.2
      27.0       8.0
      28.0       2.7
      29.0      19.8
      39.0       4.9
      40.0       1.0
      41.0      20.3
      42.0       5.3
      43.0      18.6
      44.0       3.2
      45.0       7.9
      53.0       1.4
      54.0       1.2
      55.0      14.5
      56.0       4.1
      57.0      16.1
      59.0       1.2
      60.0      21.1
      61.0      17.0
      67.0       2.0
      68.0       1.9
      69.0       7.8
      70.0      14.0
      71.0       9.8
      73.0      18.7
      74.0       2.7
      81.0       2.0
      83.0       3.1
      84.0       4.3
      87.0       3.1
      88.0     100.0
      89.0       8.0
      97.0       2.8
      98.0       1.5
     101.0      35.6
     102.0       3.5
     112.0       1.1
     115.0       6.4
     129.0       2.4
     141.0      18.5
     142.0       1.9
     143.0       6.4
     157.0       5.9
     159.0       1.0
     186.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₂₂ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl nonanoate

    Assign.     Shift(ppm)

      A             4.120
      B             2.28
      C             1.62
      D          1.52 to 1.07
      E             1.251
      F             0.88
     
     J(A,E)=7.1HZ.

     Hz     ppm     Int.

    380.00   4.243     79
    372.88   4.164    267
    365.69   4.084    281
    358.63   4.005     94
    212.69   2.375     52
    211.50   2.362     49
    205.00   2.289    132
    197.88   2.210    101
    197.25   2.203    111
    151.25   1.689     30
    150.75   1.684     30
    150.44   1.680     30
    149.75   1.673     33
    149.13   1.666     31
    148.94   1.664     31
    148.50   1.659     30
    148.19   1.655     33
    147.81   1.651     33
    147.13   1.643     35
    146.75   1.639     38
    145.19   1.622     44
    144.56   1.615     45
    144.19   1.610     45
    143.63   1.604     44
    141.88   1.585     36
    141.19   1.577     35
    139.94   1.563     35
    139.50   1.558     35
    139.13   1.554     36
    138.50   1.547     36
    137.94   1.541     37
    137.50   1.536     35
    136.75   1.527     35
    136.25   1.522     34
    131.31   1.467     30
    131.00   1.463     30
    130.38   1.456     30
    128.13   1.431     33
    127.75   1.427     35
    126.19   1.409     44
    123.50   1.379     66
    119.13   1.331    473
    115.13   1.286    545
    114.44   1.278    538
    112.06   1.252   1000
    104.88   1.172    321
     84.06   0.939     68
     81.19   0.907     57
     81.00   0.905     57
     78.75   0.880    229
     75.19   0.840     31
     72.75   0.813     42

in CDCl3