3,4-Dimethoxyphenylacetone(776-99-8) ¹³C NMR

Product Name3,4-Dimethoxyphenylacetone

CAS 776-99-8

Molecular FormulaC11H14O3

Molecular Weight194.23

InChIInChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3

InChIKey UMYZWICEDUEWIM-UHFFFAOYSA-N

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

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¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8632          
(3,4-dimethoxyphenyl)acetone
C11H14O3            (Mass of molecular ion:    194)

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

      15.0       1.4
      39.0       3.6
      43.0       9.7
      51.0       3.0
      63.0       1.4
      65.0       4.4
      77.0       3.7
      78.0       3.5
      79.0       1.9
      80.0       1.2
      89.0       1.4
      90.0       3.0
      91.0       5.3
      92.0       1.4
     105.0       3.6
     106.0       5.4
     107.0      10.6
     108.0       5.3
     118.0       1.0
     135.0       3.2
     136.0       1.5
     137.0       1.9
     151.0     100.0
     152.0      10.3
     194.0      18.7
     195.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₄ O₃	0.05 ml : 0.5 ml CDCl₃
(3,4-dimethoxyphenyl)acetone

    Assign.     Shift(ppm)

      A             6.82
      B             6.76
      C             6.71
      D             3.856
      E             3.624
      F             2.140
     
     CONFIRMED BY LAOCN PROGRAM

     Hz     ppm     Int.

    617.75   6.898     44
    612.25   6.837     33
    609.13   6.802    299
    607.56   6.784    137
    605.81   6.765    178
    602.19   6.724    156
    600.38   6.704    135
    599.00   6.689     74
    351.38   3.924     23
    345.44   3.858   1000
    324.75   3.627    193
    191.75   2.142    488

in CDCl3