對庚基苯乙酮(37593-03-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:對庚基苯乙酮

CAS:37593-03-6

分子式:C15H22O

分子量: 218.33

InChI:InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3

InChIKey: UQBRZOXCKKBKDU-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(CCCCCCC)C=C1)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9466          
4'-heptylacetophenone
C15H22O             (Mass of molecular ion:    218)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.4
      29.0       1.8
      39.0       1.1
      41.0       3.2
      43.0      12.3
      55.0       2.0
      65.0       1.3
      77.0       2.2
      79.0       1.0
      89.0       1.7
      90.0       4.1
      91.0      16.4
      92.0       1.8
     103.0       1.8
     104.0       1.2
     105.0       6.5
     115.0       1.0
     118.0       2.5
     119.0       1.1
     131.0       2.3
     133.0       4.0
     134.0       3.0
     189.0       1.0
     203.0     100.0
     204.0      15.5
     205.0       1.3
     218.0      11.2
     219.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₂ O	0.05 ml : 0.5 ml CDCl₃
4'-heptylacetophenone

    Assign.     Shift(ppm)

      A             7.869
      B             7.249
      C             2.647
      D             2.561
      E             1.62
      F             1.31
      G             1.27
      J             0.876

     Hz     ppm     Int.

   3151.25   7.886     35
   3149.41   7.881    220
   3147.46   7.876     78
   3142.94   7.865     79
   3140.99   7.860    236
   3139.16   7.855     44
   2904.17   7.267     34
   2902.34   7.263    201
   2900.39   7.258     71
   2895.75   7.246     66
   2893.80   7.241    190
   2891.97   7.237     37
   1065.55   2.667    101
   1057.98   2.648    126
   1050.05   2.628    112
   1048.95   2.625     76
   1023.56   2.562   1000
    655.03   1.640     45
    647.46   1.621     62
    641.72   1.606     42
    639.89   1.602     48
    532.71   1.333     69
    528.69   1.323    105
    525.02   1.314    184
    522.46   1.308    132
    521.24   1.305    141
    518.68   1.298    165
    512.33   1.282    106
    508.42   1.273    127
    507.20   1.270    136
    503.30   1.260    104
    494.51   1.238     37
    357.18   0.894    118
    350.34   0.877    350
    343.14   0.859    140

in CDCl3