621-87-4

苯氧乙酮(621-87-4)質(zhì)譜(MS)

產(chǎn)品名稱:苯氧乙酮

CAS:621-87-4

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey: QWAVNXZAQASOML-UHFFFAOYSA-N

Smiles:C(OC1=CC=CC=C1)C(=O)C

Mass

MS-NW-5668          
1-phenoxy-2-propanone
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       4.4
      26.0       1.1
      27.0       4.8
      28.0       2.0
      29.0       2.3
      37.0       1.1
      38.0       3.0
      39.0      11.7
      40.0       1.3
      41.0       1.6
      42.0       2.2
      43.0      84.2
      44.0       2.1
      50.0       5.6
      51.0      22.2
      52.0       2.0
      53.5       1.0
      57.0       1.0
      62.0       1.3
      63.0       3.7
      64.0       1.7
      65.0       8.1
      66.0       2.0
      74.0       1.5
      75.0       1.5
      76.0       2.0
      77.0     100.0
      78.0      10.7
      79.0      24.3
      80.0       1.8
      91.0       1.0
      93.0       1.1
      94.0       5.5
      99.0       2.3
     107.0      69.8
     108.0      14.6
     109.0       1.3
     111.0       1.1
     150.0      69.4
     151.0       7.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
1-phenoxy-2-propanone

    Assign.     Shift(ppm)

      A             7.277
      B             6.98
      C             6.87
      D             4.515
      E             2.259

     Hz     ppm     Int.

    661.06   7.382     38
    654.25   7.306     87
    653.75   7.300     84
    652.31   7.284     76
    647.81   7.234     42
    646.19   7.216     91
    645.44   7.207     78
    632.06   7.058     51
    630.81   7.044     48
    625.44   6.984     49
    624.81   6.977     72
    621.69   6.942     33
    620.19   6.925     97
    618.81   6.910    138
    617.63   6.897     41
    616.44   6.883     39
    613.00   6.845     31
    611.56   6.829     70
    610.88   6.821     55
    610.31   6.815     71
    404.38   4.516    523
    202.31   2.259   1000
    200.63   2.241     40

in CDCl3