2198-54-1

3',4'-DIMETHYLACETANILIDE(2198-54-1) IR1

Product Name3',4'-DIMETHYLACETANILIDE

CAS 2198-54-1

Molecular FormulaC10H13NO

Molecular Weight163.22

InChIInChI=1S/C10H13NO/c1-7-4-5-10(6-8(7)2)11-9(3)12/h4-6H,1-3H3,(H,11,12)

InChIKey UAOIEEWQVAXCFY-UHFFFAOYSA-N

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

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3',4'-DIMETHYLACETANILIDE(2198-54-1) IR1
Mass

MS-IW-4951          
3',4'-dimethylacetanilide
C10H13NO            (Mass of molecular ion:    163)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       1.6
      28.0       2.1
      39.0       3.5
      41.0       2.0
      42.0       1.2
      43.0      12.5
      50.0       1.0
      51.0       3.2
      52.0       2.2
      53.0       2.4
      63.0       1.5
      65.0       3.4
      77.0      10.5
      78.0       2.9
      79.0       2.1
      80.0       1.0
      91.0       7.9
      92.0       1.8
      93.0       3.3
     103.0       1.8
     104.0       1.9
     105.0       1.6
     106.0      43.8
     107.0       4.0
     118.0       2.3
     119.0       2.5
     120.0      45.4
     121.0     100.0
     122.0       9.7
     132.0       1.0
     163.0      55.0
     164.0       6.2

400 MHz in CDCl3

3',4'-DIMETHYLACETANILIDE(2198-54-1) IR1

¹H NMR	399.65 MHz
C₁₀ H₁₃ N O	0.040 g : 0.5 ml CDCl₃
3',4'-dimethylacetanilide

    Assign.     Shift(ppm)

      A             7.97
      B             7.276
      C             7.216
      D             7.021
      E             2.186
      F             2.113

     Hz     ppm     Int.

   3186.77   7.974     47
   2908.81   7.279    121
   2906.98   7.274    136
   2889.65   7.231     71
   2887.33   7.225     60
   2881.47   7.210     84
   2879.27   7.205     72
   2809.94   7.032    122
   2801.76   7.011    103
    873.78   2.187   1000
    844.48   2.114    955

in CDCl3