2',4'-Dimethylacetophenone(89-74-7) ¹³C NMR

Product Name2',4'-Dimethylacetophenone

CAS 89-74-7

Molecular FormulaC10H12O

Molecular Weight148.2

InChIInChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3

InChIKey HSDSKVWQTONQBJ-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(C)C=C1C)C

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Mass

MS-NW-9354          
2',4'-dimethylacetophenone
C10H12O             (Mass of molecular ion:    148)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.1
      27.0       4.2
      39.0       6.8
      41.0       1.5
      43.0       8.7
      50.0       2.3
      51.0       7.6
      52.0       2.1
      53.0       3.1
      62.0       1.5
      63.0       4.6
      64.0       1.3
      65.0       3.8
      74.0       1.1
      75.0       1.0
      76.0       1.0
      77.0      18.2
      78.0       5.6
      79.0      15.9
      80.0       1.0
      89.0       1.7
      91.0       3.8
     102.0       1.5
     103.0      10.8
     104.0       3.7
     105.0      64.6
     106.0       5.8
     115.0       2.2
     119.0       1.2
     133.0     100.0
     134.0      10.1
     148.0      36.7
     149.0       4.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
2',4'-dimethylacetophenone

    Assign.     Shift(ppm)

      A             7.603
      B             7.03
      C             7.02
      D             2.529
      E             2.506
      F             2.325

     Hz     ppm     Int.

    685.94   7.660     62
    677.56   7.566     85
    633.25   7.071     56
    630.75   7.043     58
    630.06   7.036     74
    629.38   7.028     77
    628.94   7.023     79
    628.25   7.015     83
    627.56   7.008     78
    626.81   6.999     66
    226.56   2.530   1000
    224.50   2.507    438
    219.25   2.449     36
    208.25   2.326    402

in CDCl3