97-96-1

2-乙基丁醛(97-96-1)質(zhì)譜(MS)

產(chǎn)品名稱:2-乙基丁醛

CAS:97-96-1

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

InChIKey: UNNGUFMVYQJGTD-UHFFFAOYSA-N

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

Mass

MS-IW-6724          
2-ethylbutyraldehyde
C6H12O              (Mass of molecular ion:    100)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.2
      27.0      14.9
      28.0       2.0
      29.0      22.2
      39.0      10.9
      40.0       1.3
      41.0      27.5
      42.0       4.9
      43.0     100.0
      44.0       5.5
      53.0       2.7
      54.0       1.6
      55.0      12.6
      56.0       2.9
      57.0      15.3
      58.0       3.8
      59.0       1.2
      67.0       2.6
      69.0       1.7
      70.0       2.9
      71.0      34.2
      72.0      48.1
      73.0       3.1
      82.0       4.9
      88.0       1.5
     100.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
2-ethylbutyraldehyde

    Assign.     Shift(ppm)

      A             9.587
      B             2.121
      C     *1      1.67
      D     *1      1.53
      E             0.918

     Hz     ppm     Int.

   3833.16   9.592    278
   3830.26   9.585    292
    858.31   2.148     31
    855.56   2.141     43
    853.12   2.135     43
    850.37   2.128     69
    847.63   2.121     69
    845.03   2.115     48
    842.59   2.109     51
    839.69   2.102     38
    684.66   1.714     88
    677.03   1.695    127
    670.62   1.679    148
    669.56   1.676    107
    662.99   1.659    198
    655.52   1.641    143
    648.04   1.622     47
    632.93   1.584     42
    627.44   1.570     46
    625.46   1.566    117
    619.81   1.551    116
    617.98   1.547    130
    612.34   1.533    131
    611.57   1.531     99
    610.50   1.528     67
    605.77   1.516     77
    604.86   1.514     69
    603.94   1.512     89
    598.45   1.498     73
    596.47   1.493     37
    590.97   1.479     30
    374.60   0.938    577
    366.97   0.919   1000
    359.50   0.900    617

in CDCl3