119-60-8

二環(huán)己基甲酮(119-60-8)核磁圖(¹HNMR)

產(chǎn)品名稱:二環(huán)己基甲酮

CAS:119-60-8

分子式:C13H22O

分子量: 194.31

InChI:InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2

InChIKey: TWXWPPKDQOWNSX-UHFFFAOYSA-N

Smiles:C(C1CCCCC1)(C1CCCCC1)=O

Mass

MS-IW-5535          
dicyclohexyl ketone
C13H22O             (Mass of molecular ion:    194)

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

      27.0       2.1
      29.0       2.6
      39.0       3.3
      41.0      12.6
      43.0       1.2
      53.0       1.9
      54.0       2.5
      55.0      28.6
      56.0       1.3
      67.0       5.9
      77.0       1.1
      79.0       2.9
      81.0       2.7
      82.0       3.5
      83.0     100.0
      84.0       7.2
      91.0       1.3
      94.0       3.2
      95.0       3.2
     109.0       1.0
     110.0       6.3
     111.0      33.3
     112.0       3.0
     113.0       1.3
     139.0       1.3
     176.0       1.1
     194.0       8.9
     195.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₂ O	0.05 ml : 0.5 ml CDCl₃
dicyclohexyl ketone

    Assign.     Shift(ppm)

      A             2.489
      B             1.77
      C             1.67
      D             1.32
      E             1.26
      F             1.20
     
     ASSIGNED BY H-H COSY.
     J(A,D)=11.1HZ

     Hz     ppm     Int.

   1004.76   2.515    167
   1001.95   2.508    152
    997.07   2.495    182
    993.90   2.487    297
    991.09   2.480    232
    985.72   2.467    112
    984.50   2.464    114
    982.79   2.460    140
    979.74   2.452     94
    729.13   1.825     43
    713.62   1.786    906
    712.28   1.783    913
    703.86   1.762    952
    702.88   1.759   1000
    702.03   1.757    971
    688.84   1.724     68
    688.35   1.723     67
    687.13   1.720     71
    681.64   1.706     41
    680.54   1.703     39
    674.32   1.688    225
    672.49   1.683    296
    670.41   1.678    242
    667.72   1.671    182
    663.09   1.660    211
    661.25   1.655    230
    658.45   1.648    181
    551.39   1.380     68
    547.00   1.369    150
    535.03   1.339    386
    524.54   1.313    730
    513.67   1.286    781
    510.99   1.279    419
    503.54   1.260    372
    501.22   1.255    475
    495.12   1.239    233
    491.94   1.231    398
    484.13   1.212    226
    476.81   1.194     93
    473.75   1.186    128
    472.05   1.182    134
    468.99   1.174    100
    463.26   1.160     51
    462.16   1.157     51
    460.57   1.153     52

in CDCl3