108-94-1

環(huán)己酮(108-94-1)紅外圖譜(IR2)

產(chǎn)品名稱:環(huán)己酮

CAS:108-94-1

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N

Smiles:C1(=O)CCCCC1

Mass

MS2014-05106CW      
cyclohexanone
C6H10O              (Mass of molecular ion:     98)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      14.0       1.0
      26.0       2.8
      27.0      14.4
      28.0      23.1
      29.0       4.4
      32.0       6.3
      37.0       1.0
      38.0       2.8
      39.0      23.6
      40.0       6.5
      41.0      31.1
      42.0      54.5
      43.0       7.4
      50.0       2.0
      51.0       2.7
      52.0       1.0
      53.0       3.9
      54.0       8.6
      55.0     100.0
      56.0      10.1
      57.0       1.5
      67.0       1.5
      68.0       1.5
      69.0      34.2
      70.0      27.5
      71.0       2.4
      79.0       1.3
      80.0       8.0
      83.0      16.1
      97.0       4.9
      98.0      91.8
      99.0       6.5

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
cyclohexanone

    Assign.     Shift(ppm)

      A             2.35
      B          2.07 to 1.55

     Hz     ppm     Int.

    215.94   2.412    337
    214.56   2.396    313
    213.38   2.383    344
    210.06   2.346    827
    203.56   2.273    713
    181.94   2.032     55
    181.38   2.026     66
    180.94   2.021     67
    178.75   1.996    151
    177.13   1.978    111
    176.25   1.968    127
    173.38   1.936    359
    171.31   1.913    323
    170.38   1.903    373
    169.50   1.893    424
    168.56   1.883    441
    167.75   1.874    436
    167.06   1.866    420
    166.63   1.861    414
    165.31   1.846    498
    163.94   1.831    609
    163.44   1.825    614
    162.50   1.815    728
    161.50   1.804    762
    160.00   1.787    875
    159.25   1.779   1000
    157.88   1.763    775
    152.94   1.708    172
    151.13   1.688    138
    150.19   1.677    131
    149.56   1.670    121
    146.63   1.638     66
    146.25   1.633     70
    145.69   1.627     70
    145.13   1.621     69
    144.63   1.615     65
    144.19   1.610     62
    143.81   1.606     65