4-氟苯基丙酮(459-03-0)核磁圖(¹HNMR)

產(chǎn)品名稱:4-氟苯基丙酮

CAS:459-03-0

分子式:C9H9FO

分子量: 152.17

InChI:InChI=1S/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3

InChIKey: ZUEKIIWSVFBTCM-UHFFFAOYSA-N

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

Mass

MS2006-03359WA      
(p-fluorophenyl)acetone
C9H9FO              (Mass of molecular ion:    152)

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

      15.0       1.7
      39.0       3.3
      43.0      66.0
      44.0       1.7
      50.0       2.4
      51.0       2.6
      54.5       1.1
      57.0       7.3
      59.0       1.9
      62.0       2.7
      63.0       6.0
      69.0       1.0
      70.0       1.0
      74.0       1.5
      75.0       2.9
      81.0       4.0
      82.0       1.4
      83.0      20.9
      84.0       1.2
      87.0       1.0
      89.0       3.4
      95.0       2.6
      96.0       1.1
     101.0       1.0
     107.0       9.2
     108.0       4.5
     109.0     100.0
     110.0      19.6
     111.0       1.2
     123.0       3.0
     124.0       1.5
     133.0       1.1
     152.0      31.0
     153.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ F O	0.05 ml : 0.5 ml CDCl₃
(p-fluorophenyl)acetone

    Assign.     Shift(ppm)

      A             7.14
      B             6.99
      C             3.646
      D             2.127

     Hz     ppm     Int.

    651.13   7.271     69
    648.13   7.237     56
    645.50   7.208     44
    645.00   7.202     40
    643.94   7.191     47
    642.50   7.174     97
    642.13   7.170     97
    639.25   7.138    197
    637.13   7.115     88
    635.19   7.093    125
    633.38   7.073    344
    631.75   7.054     77
    631.31   7.050     80
    630.63   7.042     82
    629.50   7.029     45
    628.63   7.020     47
    627.06   7.002     98
    624.88   6.978    234
    622.31   6.949     78
    618.25   6.904     50
    615.81   6.876     74
    326.63   3.648    391
    190.38   2.126   1000
    186.13   2.079     41
    186.00   2.077     41
    185.44   2.071     40
    184.38   2.059     34

in CDCl3