583-60-8

2-Methylcyclohexanone(583-60-8) MS

Product Name2-Methylcyclohexanone

CAS 583-60-8

Molecular FormulaC7H12O

Molecular Weight112.17

InChIInChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3

InChIKey LFSAPCRASZRSKS-UHFFFAOYSA-N

SmilesC1(=O)CCCCC1C

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2-Methylcyclohexanone(583-60-8) MS
Mass

MS-NW-5073          
2-methyl-1-cyclohexanone
C7H12O              (Mass of molecular ion:    112)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.9
      18.0       2.0
      26.0       3.2
      27.0      20.9
      28.0      11.5
      29.0      11.0
      38.0       2.0
      39.0      21.4
      40.0       6.0
      41.0      63.6
      42.0      36.2
      43.0      11.3
      44.0       1.0
      50.0       1.6
      51.0       2.3
      52.0       1.1
      53.0       4.9
      54.0       3.7
      55.0      45.9
      56.0      58.8
      57.0       5.4
      58.0       4.3
      67.0       8.8
      68.0     100.0
      69.0      47.2
      70.0      10.5
      71.0       2.6
      79.0       3.5
      81.0       2.1
      83.0      11.8
      84.0      24.3
      85.0       1.8
      94.0       3.9
      97.0       6.9
      98.0       1.7
     112.0      52.3
     113.0       4.2

400 MHz in CDCl3

2-Methylcyclohexanone(583-60-8) MS

¹H NMR	399.65 MHz
C₇ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
2-methyl-1-cyclohexanone

    Assign.     Shift(ppm)

      A             2.39
      B             2.31
      C             2.09
      D             1.855
      E             1.72
      F             1.64
      G             1.385
      J             1.022
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

    849.00   2.125     52
    846.44   2.118     63
    843.14   2.110     63
    840.58   2.104     63
    838.99   2.100     76
    836.43   2.093    107
    835.69   2.092    108
    834.72   2.089     91
    833.13   2.085    129
    829.71   2.077    132
    826.90   2.070     93
    824.10   2.063     72
    823.49   2.061     74
    820.80   2.054     53
    817.38   2.046     35
    751.59   1.881     38
    749.76   1.877     49
    748.17   1.873     49
    746.09   1.867     49
    744.51   1.863     48
    743.65   1.861     39
    742.19   1.858     40
    740.11   1.852     79
    738.53   1.848     87
    736.69   1.844     82
    735.11   1.840     89
    731.45   1.831     35
    698.49   1.748     33
    689.70   1.726     61
    686.16   1.717     87
    683.47   1.711     41
    676.76   1.694     97
    676.03   1.692    101
    674.32   1.688    134
    671.02   1.680     75
    668.58   1.673     52
    665.41   1.665    131
    664.43   1.663     82
    663.21   1.660     88
    661.74   1.656    111
    656.98   1.644     41
    655.76   1.641     32
    654.05   1.637     58
    652.95   1.634     55
    649.41   1.625     54
    572.14   1.432     31
    568.36   1.423     48
    559.94   1.402     56
    559.20   1.400     53
    556.27   1.392     86
    546.75   1.369     53
    542.97   1.359     67
    411.87   1.031    961
    405.27   1.015   1000

in CDCl3