3,4-Dimethoxyacetophenone(1131-62-0) ¹H NMR

Product Name3,4-Dimethoxyacetophenone

CAS 1131-62-0

Molecular FormulaC10H12O3

Molecular Weight180.2

InChIInChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3

InChIKey IQZLUWLMQNGTIW-UHFFFAOYSA-N

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

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Mass

MS-NW-6538          
3',4'-dimethoxyacetophenone
C10H12O3            (Mass of molecular ion:    180)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.8
      18.0       1.5
      28.0       1.5
      39.0       2.1
      41.0       1.2
      43.0      13.3
      50.0       3.1
      51.0       6.7
      52.0       1.5
      53.0       2.0
      62.0       1.5
      63.0       3.5
      64.0       1.4
      65.0       2.2
      66.0       2.2
      74.0       1.0
      75.0       1.2
      76.0       2.5
      77.0      11.7
      78.0       2.0
      79.0       8.4
      91.0       2.2
      92.0       4.1
      94.0       5.0
      95.0       1.0
     105.0       1.5
     107.0       3.9
     109.0       3.5
     119.0       2.5
     120.0       1.5
     121.0       1.7
     122.0       6.6
     123.0       1.1
     137.0      10.2
     138.0       1.0
     165.0     100.0
     166.0      10.9
     167.0       1.1
     180.0      54.0
     181.0       6.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O₃	0.050 g : 0.5 ml CDCl₃
3',4'-dimethoxyacetophenone

    Assign.     Shift(ppm)

      A             7.58
      B             7.53
      C             6.89
      D     *1      3.949
      E     *1      3.938
      F             2.567
     
     J(A,C)=8.6HZ. J(A,B)=2.0HZ.

     Hz     ppm     Int.

    684.13   7.639     43
    682.13   7.617     68
    674.50   7.532    265
    673.50   7.521     48
    621.00   6.934     55
    620.19   6.925     41
    613.19   6.847     33
    612.50   6.839     42
    353.69   3.950    659
    352.69   3.939    712
    229.88   2.567   1000

in CDCl3