4'-Chloroacetophenone(99-91-2) Raman

Product Name4'-Chloroacetophenone

CAS 99-91-2

Molecular FormulaC8H7ClO

Molecular Weight154.59

InChIInChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

InChIKey BUZYGTVTZYSBCU-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(Cl)C=C1)C

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Mass

MS-NW-3158          
4'-chloroacetophenone
C8H7ClO             (Mass of molecular ion:    154)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.9
      37.0       1.1
      38.0       2.1
      39.0       1.2
      43.0      13.8
      50.0       8.9
      51.0       4.7
      55.5       1.0
      61.0       1.2
      62.0       1.2
      63.0       2.1
      69.5       1.4
      73.0       1.8
      74.0       5.4
      75.0      17.2
      76.0       4.8
      77.0       2.1
      85.0       2.2
      89.0       1.3
     111.0      42.0
     112.0       4.2
     113.0      13.7
     114.0       1.3
     139.0     100.0
     140.0       7.6
     141.0      31.7
     142.0       2.6
     154.0      26.7
     155.0       2.3
     156.0       8.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Cl O	0.04 ml : 0.5 ml CDCl₃
4'-chloroacetophenone

    Assign.     Shift(ppm)

      A             7.88
      B             7.43
      C             2.579

     Hz     ppm     Int.

    710.88   7.938    143
    710.38   7.932     74
    708.81   7.915     47
    704.19   7.863     55
    702.00   7.839    184
    699.81   7.814     30
    670.88   7.491     31
    668.69   7.467    205
    666.50   7.442     55
    661.94   7.392     52
    660.31   7.373     94
    659.81   7.368    144
    230.94   2.579   1000
    229.81   2.566     36

in CDCl3