3-辛烯-2-酮(1669-44-9)核磁圖(¹HNMR)

產(chǎn)品名稱:3-辛烯-2-酮

CAS:1669-44-9

分子式:C8H14O

分子量: 126.2

InChI:InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3

InChIKey: ZCFOBLITZWHNNC-UHFFFAOYSA-N

Smiles:CC(=O)C=CCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6970          
3-octen-2-one
C8H14O              (Mass of molecular ion:    126)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.1
      26.0       1.0
      27.0      13.1
      28.0       3.7
      29.0       7.2
      39.0      12.1
      40.0       2.4
      41.0      30.3
      42.0       3.3
      43.0      76.7
      44.0       2.1
      51.0       1.7
      53.0       4.9
      54.0       2.0
      55.0     100.0
      56.0       6.0
      57.0       1.3
      58.0       1.8
      59.0       1.5
      67.0       3.5
      68.0       9.9
      69.0      14.1
      70.0       1.0
      71.0      14.3
      72.0       2.0
      77.0       1.2
      79.0       2.0
      81.0       2.2
      82.0       1.4
      83.0       9.9
      84.0       3.5
      85.0       1.6
      93.0       1.4
      97.0      25.4
      98.0       2.1
     108.0       2.9
     111.0      64.4
     112.0       5.3
     126.0      21.9
     127.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
3-octen-2-one

    Assign.     Shift(ppm)

      A             6.821
      B             6.077
      C             2.247
      D             2.23
      E             1.461
      F             1.357
      G             0.921

     Hz     ppm     Int.

   2741.21   6.860     46
   2734.25   6.842     96
   2727.42   6.825     50
   2725.22   6.820     52
   2718.38   6.802    101
   2711.43   6.785     52
   2437.74   6.100     65
   2436.28   6.097    122
   2434.69   6.093     64
   2421.88   6.061     60
   2420.29   6.057    110
   2418.82   6.053     58
    916.38   2.293     37
    908.69   2.274     33
    907.96   2.272     36
    905.40   2.266     56
    903.93   2.262     58
    897.95   2.247   1000
    890.63   2.229    121
    889.40   2.226    112
    887.94   2.222     65
    883.79   2.212     61
    882.20   2.208     64
    593.26   1.485     75
    590.33   1.478     44
    586.18   1.467     91
    584.84   1.464     96
    582.52   1.458     46
    578.49   1.448     83
    577.27   1.445     84
    575.32   1.440     40
    570.80   1.429     47
    553.22   1.385     77
    546.26   1.367     95
    545.53   1.366    100
    540.89   1.354     41
    538.09   1.347     92
    537.60   1.346     90
    530.64   1.328     59
    375.12   0.939    293
    372.56   0.933     33
    367.92   0.921    511
    365.48   0.915     44
    360.60   0.903    236
    357.91   0.896     33

in CDCl3