19780-25-7

2-乙基丁烯醛(19780-25-7)Raman光谱

产品名称:2-乙基丁烯醛

CAS:19780-25-7

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3

InChIKey: IQGZCSXWIRBTRW-UHFFFAOYSA-N

Smiles:C(=O)C(CC)=CC

Mass

MS-NW-1224          
2-ethyl-2-butenal
C6H10O              (Mass of molecular ion:     98)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.1
      18.0       1.6
      26.0       2.7
      27.0      24.5
      28.0       4.5
      29.0      18.5
      31.0       1.2
      37.0       1.7
      38.0       3.9
      39.0      32.5
      40.0       4.4
      41.0     100.0
      42.0      15.9
      43.0      11.8
      44.0       1.9
      45.0       1.1
      50.0       3.1
      51.0       4.5
      52.0       1.9
      53.0      11.4
      54.0       4.6
      55.0      36.9
      56.0       4.0
      57.0       2.8
      58.0       1.6
      63.0       1.3
      65.0       2.6
      67.0       5.7
      68.0       1.1
      69.0      33.6
      70.0       5.5
      71.0       1.2
      77.0       1.5
      79.0       7.7
      80.0       1.4
      83.0      30.4
      84.0       1.7
      97.0       8.6
      98.0      82.2
      99.0       5.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
2-ethyl-2-butenal

    Assign.     Shift(ppm)

      A             9.36
      B             6.55
      C             2.27
      D             1.99
      E             0.97

     Hz     ppm     Int.

    838.38   9.362    524
    596.75   6.664     59
    589.69   6.585    176
    582.75   6.507    181
    575.69   6.428     64
    216.38   2.417     57
    215.75   2.410     71
    215.19   2.403     60
    208.13   2.324    235
    200.75   2.242    270
    200.25   2.236    245
    194.25   2.169     80
    193.69   2.163    114
    193.19   2.158    131
    182.50   2.038    622
    182.00   2.033   1000
    181.50   2.027    518
    179.00   1.999     35
    175.00   1.954    966
     94.06   1.051    487
     91.88   1.026     35
     86.75   0.969    979
     79.00   0.883    359

in CDCl3