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105-37-3

丙酸乙酯(105-37-3)質(zhì)譜(MS)

產(chǎn)品名稱:丙酸乙酯

CAS:105-37-3

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3

InChIKey: FKRCODPIKNYEAC-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CC

  • 圖譜
    Mass 

    MS-NW-0527          
ethyl propionate
C5H10O2             (Mass of molecular ion:    102)


       Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV


          15.0       2.6
      26.0       5.1
      27.0      24.8
      28.0      14.7
      29.0     100.0
      30.0       3.0
      31.0       5.3
      41.0       1.1
      42.0       2.0
      43.0       4.0
      45.0      12.6
      55.0       1.5
      56.0       3.4
      57.0      91.3
      58.0       3.1
      73.0       5.6
      74.0       9.7
      75.0      11.6
      84.0       1.1
      87.0       1.7
     102.0      10.7

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C5 H10 O2 0.05 ml : 0.5 ml CDCl3
    ethyl propionate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.132
      B             2.319
      C             1.259
      D             1.140
  

         Hz     ppm     Int.


       1661.99   4.159    194
   1654.91   4.141    500
   1647.71   4.123    497
   1640.63   4.106    194
    938.35   2.348    185
    930.79   2.330    481
    926.64   2.319     31
    923.10   2.310    489
    915.53   2.291    193
    510.25   1.277    657
    507.69   1.271     45
    503.17   1.260   1000
    495.97   1.242    627
    493.41   1.235     35
    463.13   1.159    616
    460.45   1.153     44
    455.57   1.140    999
    453.00   1.134     62
    450.56   1.128     39
    447.88   1.121    578

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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