4'-CHLOROACETANILIDE(539-03-7) IR1

Product Name4'-CHLOROACETANILIDE

CAS 539-03-7

Molecular FormulaC8H8ClNO

Molecular Weight169.61

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

InChIKey GGUOCFNAWIODMF-UHFFFAOYSA-N

SmilesC(NC1=CC=C(Cl)C=C1)(=O)C

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Mass

MS-NW-3883          
4'-chloroacetanilide
C8H8ClNO            (Mass of molecular ion:    169)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.6
      28.0       1.2
      37.0       1.2
      38.0       2.0
      39.0       3.4
      42.0       1.0
      43.0      31.8
      50.0       1.9
      51.0       1.5
      52.0       1.5
      62.0       2.0
      63.0       5.2
      64.0       2.7
      65.0       5.9
      73.0       3.2
      74.0       1.1
      75.0       2.4
      77.0       1.0
      78.0       2.6
      90.0       1.7
      91.0       2.7
      92.0       6.8
      99.0       5.6
     100.0       3.7
     101.0       2.0
     102.0       1.3
     111.0       1.1
     126.0       1.7
     127.0     100.0
     128.0       7.9
     129.0      32.3
     130.0       2.3
     169.0      23.4
     170.0       2.3
     171.0       7.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₈ Cl N O	0.042 g : 0.5 ml DMSO-d₆
4'-chloroacetanilide

    Assign.     Shift(ppm)

      A            10.09
      B             7.633
      C             7.349
      D             2.067

     Hz     ppm     Int.

   4033.36  10.093     69
   3058.47   7.653     27
   3055.27   7.645    208
   3053.28   7.640     72
   3048.55   7.629     79
   3046.42   7.623    243
   3043.37   7.616     29
   2944.34   7.368     37
   2941.28   7.360    298
   2939.15   7.355     87
   2934.42   7.343     81
   2932.43   7.338    245
   2929.23   7.330     26
    826.11   2.068   1000

KBr disc