3',4'-Dimethylacetophenone(3637-01-2) IR1

Product Name3',4'-Dimethylacetophenone

CAS 3637-01-2

Molecular FormulaC10H12O

Molecular Weight148.2

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

InChIKey WPRAXAOJIODQJR-UHFFFAOYSA-N

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

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Mass

MS-NW-5655          
3',4'-dimethylacetophenone
C10H12O             (Mass of molecular ion:    148)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       1.2
      27.0       4.5
      39.0       6.1
      41.0       1.5
      43.0       8.3
      50.0       2.5
      51.0       6.9
      52.0       1.8
      53.0       2.9
      62.0       1.5
      63.0       4.1
      64.0       1.1
      65.0       3.1
      74.0       1.1
      75.0       1.0
      77.0      14.8
      78.0       4.6
      79.0      11.7
      89.0       1.5
      91.0       2.9
     102.0       1.3
     103.0       8.2
     104.0       3.3
     105.0      48.9
     106.0       5.0
     119.0       1.2
     133.0     100.0
     134.0      10.7
     148.0      38.6
     149.0       4.5
     263.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
3',4'-dimethylacetophenone

    Assign.     Shift(ppm)

      A             7.73
      B             7.69
      C             7.195
      D             2.554
      E             2.30

     Hz     ppm     Int.

    691.81   7.725    111
    684.69   7.646     38
    682.75   7.624     34
    647.81   7.234     38
    647.13   7.226     33
    640.06   7.147     29
    639.38   7.140     26
    228.81   2.555   1000
    206.38   2.305    844

in CDCl3