106-32-1

辛酸乙酯(106-32-1)核磁圖(¹HNMR)

產(chǎn)品名稱:辛酸乙酯

CAS:106-32-1

分子式:C10H20O2

分子量: 172.26

InChI:InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3

InChIKey: YYZUSRORWSJGET-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCCCC

Mass

MS-NW-0440          
ethyl octanoate
C10H20O2            (Mass of molecular ion:    172)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.4
      27.0       9.9
      28.0       3.4
      29.0      22.7
      39.0       4.5
      40.0       1.0
      41.0      17.7
      42.0       5.7
      43.0      16.7
      44.0       1.4
      45.0       9.2
      53.0       1.1
      55.0      12.5
      56.0       3.3
      57.0      28.6
      58.0       1.3
      59.0       1.5
      60.0      23.5
      61.0      17.3
      67.0       1.4
      69.0       5.1
      70.0      13.8
      71.0       1.3
      73.0      19.1
      74.0       3.1
      82.0       1.1
      83.0       3.9
      84.0       3.9
      87.0       3.9
      88.0     100.0
      89.0       7.2
      97.0       2.3
      98.0       3.0
     101.0      35.4
     102.0       3.2
     109.0       1.4
     115.0       7.2
     125.0       1.3
     127.0      26.6
     128.0       2.6
     129.0       6.9
     143.0       3.7
     145.0       1.7
     172.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₀ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl octanoate

    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.

    380.06   4.244     86
    372.81   4.163    296
    365.69   4.084    312
    358.63   4.005    102
    212.75   2.376     51
    212.63   2.375     51
    211.56   2.363     52
    205.00   2.289    138
    198.00   2.211    103
    197.31   2.204    123
    152.38   1.702     35
    151.69   1.694     33
    150.50   1.681     31
    148.06   1.654     30
    145.00   1.620     44
    144.56   1.615     43
    143.94   1.608     43
    141.56   1.581     33
    141.19   1.577     33
    140.81   1.573     33
    140.38   1.568     33
    139.75   1.561     34
    139.13   1.554     34
    138.63   1.548     33
    138.25   1.544     33
    137.50   1.536     33
    136.75   1.527     33
    119.06   1.330    513
    115.00   1.285    385
    112.06   1.252   1000
    106.13   1.186     46
    104.81   1.171    359
     85.94   0.960     41
     84.19   0.941     69
     83.63   0.934     67
     83.06   0.928     62
     81.75   0.913     57
     80.94   0.904     58
     78.88   0.881    248
     72.88   0.814     48
     71.69   0.801     38

in CDCl3