2'-Chloroacetanilide(533-17-5) Raman

Product Name2'-Chloroacetanilide

CAS 533-17-5

Molecular FormulaC8H8ClNO

Molecular Weight169.61

InChIInChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)

InChIKey KNVQTRVKSOEHPU-UHFFFAOYSA-N

SmilesC(NC1=CC=CC=C1Cl)(=O)C

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Mass

MS-NW-4239          
2'-chloroacetanilide
C8H8ClNO            (Mass of molecular ion:    169)

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

      15.0       3.9
      37.0       1.4
      38.0       2.4
      39.0       4.5
      42.0       1.3
      43.0      35.6
      50.0       1.6
      51.0       1.3
      52.0       2.4
      61.0       1.0
      62.0       1.7
      63.0       6.1
      64.0       4.8
      65.0       7.9
      73.0       3.1
      74.0       1.0
      75.0       2.1
      77.0       1.2
      90.0       2.7
      91.0       4.8
      92.0       8.4
      93.0       1.0
      99.0       6.2
     100.0       2.9
     101.0       2.2
     102.0       1.0
     126.0       1.4
     127.0     100.0
     128.0       8.1
     129.0      32.7
     130.0       2.3
     134.0      26.7
     135.0       2.6
     169.0      11.5
     170.0       1.3
     171.0       3.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ Cl N O	0.044 g : 0.5 ml CDCl₃
2'-chloroacetanilide

    Assign.     Shift(ppm)

      A             8.30
      B             7.7
      C             7.34
      D             7.25
      E             7.03
      F             2.216

     Hz     ppm     Int.

    740.44   8.268     33
    739.50   8.258     32
    663.00   7.403     50
    662.69   7.400     50
    661.25   7.384     57
    660.75   7.378     55
    655.50   7.320     72
    655.06   7.315     69
    653.69   7.299    111
    653.13   7.293     93
    650.25   7.261     74
    649.88   7.257     79
    648.00   7.236     46
    642.44   7.174     53
    642.00   7.169     51
    640.50   7.152     34
    640.06   7.147     32
    635.94   7.101     79
    634.13   7.081     83
    628.31   7.016     76
    626.56   6.996     69
    198.44   2.216   1000

in CDCl3