4'-甲基苯乙酮(122-00-9)質譜(MS)

產品名稱:4'-甲基苯乙酮

CAS:122-00-9

分子式:C9H10O

分子量: 134.18

InChI:InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3

InChIKey: GNKZMNRKLCTJAY-UHFFFAOYSA-N

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

Mass

MS-NW-0053          
4'-methylacetophenone
C9H10O              (Mass of molecular ion:    134)

   Source Temperature: 215 °C
   Sample Temperature:  55 °C
   Reservoir, 75 eV

      15.0       1.4
      27.0       1.5
      38.0       1.5
      39.0       9.7
      41.0       2.1
      43.0       8.0
      50.0       3.4
      51.0       5.4
      52.0       1.1
      62.0       3.0
      63.0       7.9
      64.0       2.0
      65.0      18.2
      66.0       1.1
      74.0       1.1
      77.0       2.5
      89.0       6.3
      90.0       3.3
      91.0      65.6
      92.0       5.7
     105.0       1.6
     119.0     100.0
     120.0       8.8
     134.0      32.2
     135.0       3.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
4'-methylacetophenone

    Assign.     Shift(ppm)

      A             7.838
      B             7.228
      C             2.544
      D             2.381

     Hz     ppm     Int.

   3138.43   7.853     55
   3136.60   7.849    232
   3134.89   7.845     84
   3130.13   7.833     97
   3128.42   7.828    241
   3126.46   7.823     45
   2893.43   7.240    192
   2892.70   7.239    204
   2892.09   7.237    144
   2890.75   7.234     65
   2886.84   7.224     78
   2886.11   7.222    106
   2885.38   7.220    149
   2884.77   7.219    189
   2884.16   7.217    158
   2882.32   7.213     32
   1016.85   2.545   1000
   1013.67   2.537     44
    951.90   2.382    575

in CDCl3