N-Methylbenzamide(613-93-4) MS

Product NameN-Methylbenzamide

CAS 613-93-4

Molecular FormulaC8H9NO

Molecular Weight135.16

InChIInChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

InChIKey NCCHARWOCKOHIH-UHFFFAOYSA-N

SmilesC(NC)(=O)C1=CC=CC=C1

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Mass

MS-IW-3872          
N-methylbenzamide
C8H9NO              (Mass of molecular ion:    135)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.5
      18.0       1.4
      27.0       1.9
      28.0       2.4
      30.0       1.8
      38.0       1.5
      39.0       2.3
      50.0      10.9
      51.0      31.4
      52.0       2.8
      53.5       1.1
      58.0       3.9
      74.0       3.5
      75.0       2.7
      76.0       4.5
      77.0      87.2
      78.0       7.9
     105.0     100.0
     106.0       8.5
     134.0      32.4
     135.0      38.4
     136.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ N O	0.042 g : 0.5 ml CDCl₃
N-methylbenzamide

    Assign.     Shift(ppm)

      A             7.786
      B             7.447
      C             7.366
      D             6.98
      E             2.952
     
     J(D,E)=4.8HZ

     Hz     ppm     Int.

   3118.53   7.804     42
   3116.58   7.799    245
   3115.36   7.796    292
   3114.01   7.792    143
   3110.35   7.783     97
   3108.28   7.778    369
   3106.81   7.774    281
   2986.82   7.474     39
   2985.47   7.471     72
   2984.25   7.468     44
   2980.35   7.458     53
   2978.27   7.453    185
   2976.07   7.447     68
   2972.17   7.437     96
   2970.83   7.434    165
   2969.48   7.431     88
   2953.00   7.389     54
   2951.17   7.385    251
   2949.58   7.381    117
   2944.70   7.369    205
   2943.36   7.365    365
   2941.89   7.362    104
   2937.87   7.352     67
   2936.16   7.347    157
   2935.18   7.345    103
   2790.16   6.982     36
   1182.01   2.958   1000
   1177.25   2.946    958

in CDCl3