434-45-7

2,2,2-三氟苯乙酮(434-45-7)紅外圖譜(IR1)

產(chǎn)品名稱:2,2,2-三氟苯乙酮

CAS:434-45-7

分子式:C8H5F3O

分子量: 174.12

InChI:InChI=1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H

InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N

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

Mass

MS-NW-2205          
2,2,2-trifluoroacetophenone
C8H5F3O             (Mass of molecular ion:    174)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       2.5
      37.0       1.6
      38.0       2.8
      38.5       1.4
      39.0       2.0
      49.0       1.2
      50.0      12.3
      51.0      30.9
      52.0       1.4
      52.5       2.3
      69.0       3.6
      74.0       4.1
      75.0       3.0
      76.0       3.4
      77.0      84.9
      78.0       6.0
      95.0       1.0
     104.0       1.5
     105.0     100.0
     106.0       7.8
     174.0       7.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₅ F₃ O	0.04 ml : 0.5 ml CDCl₃
2,2,2-trifluoroacetophenone

    Assign.     Shift(ppm)

      A             8.07
      B             7.73
      C             7.54

     Hz     ppm     Int.

    728.81   8.138    296
    727.38   8.122    443
    726.69   8.115    415
    725.69   8.103    324
    724.56   8.091    204
    723.00   8.073    160
    720.69   8.048    471
    719.94   8.039    571
    718.94   8.028    586
    717.94   8.017    438
    699.06   7.806    120
    697.44   7.788     81
    691.81   7.725    347
    691.44   7.721    359
    688.75   7.691    159
    686.63   7.667    403
    684.94   7.648    676
    682.44   7.620    780
    681.75   7.613   1000
    680.19   7.595    397
    677.00   7.560    314
    675.88   7.547    330
    674.38   7.530    762
    673.75   7.523    496
    672.31   7.507    133
    669.56   7.477    128
    667.94   7.459    247
    665.63   7.433    200

CCl4 solution