34841-35-5

3-氯苯丙酮(34841-35-5)核磁图(¹HNMR)

产品名称:3-氯苯丙酮

CAS:34841-35-5

分子式:C9H9ClO

分子量: 168.62

InChI:InChI=1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey: PQWGFUFROKIJBO-UHFFFAOYSA-N

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

Mass

MS-NW-7803          
3'-chloropropiophenone
C9H9ClO             (Mass of molecular ion:    168)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.3
      27.0       6.1
      29.0       5.6
      38.0       1.3
      39.0       1.3
      50.0      10.6
      51.0       5.6
      55.0       1.3
      57.0       1.9
      61.0       1.1
      62.0       1.0
      63.0       1.6
      73.0       1.5
      74.0       6.2
      75.0      22.5
      76.0       7.3
      77.0       3.1
      85.0       2.7
      87.0       1.0
     104.0       1.1
     111.0      38.9
     112.0       3.1
     113.0      12.4
     133.0       1.1
     139.0     100.0
     140.0       8.0
     141.0      32.1
     142.0       2.5
     168.0      16.5
     169.0       1.8
     170.0       5.4

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ Cl O	0.081 g : 0.5 ml CDCl₃
3'-chloropropiophenone

    Assign.     Shift(ppm)

      A             7.92
      B             7.85
      C             7.50
      D             7.40
      E             2.969
      F             1.220
     
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    711.19   7.941    137
    710.31   7.932    173
    709.38   7.921    291
    707.56   7.901    251
    707.00   7.895    239
    706.25   7.886    198
    704.44   7.866    210
    702.63   7.846    107
    701.56   7.834     58
    701.25   7.830     56
    699.19   7.807    160
    697.44   7.788    232
    695.69   7.768    144
    679.50   7.588     50
    677.63   7.567     98
    675.63   7.544     77
    671.44   7.498    242
    669.63   7.477    385
    667.81   7.457    375
    663.81   7.412     51
    662.25   7.395     62
    660.88   7.380    189
    660.31   7.373    214
    652.44   7.285    172
    277.19   3.096    128
    277.00   3.093    128
    269.81   3.013    454
    266.69   2.978     56
    266.25   2.973     54
    262.63   2.933    496
    258.81   2.890     43
    257.56   2.876     42
    255.50   2.853    172
    116.19   1.298    524
    112.69   1.259     75
    109.06   1.218   1000
    101.75   1.137    433