Phenylacetyl chloride(103-80-0) Raman

Product NamePhenylacetyl chloride

CAS 103-80-0

Molecular FormulaC8H7ClO

Molecular Weight154.59

InChIInChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey VMZCDNSFRSVYKQ-UHFFFAOYSA-N

SmilesC1(CC(Cl)=O)=CC=CC=C1

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Mass

MS-NW-0930          
phenylacetyl chloride
C8H7ClO             (Mass of molecular ion:    154)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.2
      28.0       1.7
      36.0       5.2
      37.0       1.7
      38.0       3.8
      39.0      10.4
      40.0       1.2
      41.0       1.5
      43.0       1.5
      45.0       2.1
      45.5       5.2
      50.0       4.8
      51.0       6.3
      52.0       1.2
      59.0       1.5
      59.5       1.1
      61.0       2.1
      62.0       4.8
      63.0      11.1
      64.0       4.3
      65.0      12.7
      74.0       1.2
      77.0       1.8
      89.0      21.8
      90.0      26.2
      91.0     100.0
      92.0       8.2
     105.0       2.5
     112.0       1.3
     118.0      26.4
     119.0      10.2
     154.0      12.9
     155.0       1.1
     156.0       4.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₇ Cl O	10.2 mol% in CDCl₃
phenylacetyl chloride

    Assign.     Shift(ppm)

      A             4.08
      B          7.13 to 7.43

     Hz     ppm     Int.

    663.69   7.411     38
    663.06   7.404     39
    662.69   7.400     38
    662.31   7.396     38
    661.69   7.389     33
    660.63   7.377    127
    659.31   7.362     82
    658.75   7.356     87
    655.75   7.322    341
    654.50   7.308    304
    653.38   7.296    689
    652.88   7.290    635
    651.13   7.271    390
    650.38   7.262    450
    649.88   7.257    352
    649.44   7.252    240
    649.06   7.248    202
    648.06   7.237     85
    647.44   7.230    137
    647.00   7.225    165
    645.88   7.212     95
    644.38   7.195     56
    642.50   7.174     89
    642.13   7.170    113
    640.81   7.156     35
    640.44   7.151     48
    640.00   7.147     34
    365.13   4.077   1000

in CDCl3