2,3-Dimethylanisole(2944-49-2) ¹H NMR

Product Name2,3-Dimethylanisole

CAS 2944-49-2

Molecular FormulaC9H12O

Molecular Weight136.19

InChIInChI=1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3

InChIKey BLMBNEVGYRXFNA-UHFFFAOYSA-N

SmilesC1(OC)=CC=CC(C)=C1C

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Mass

MS-NW-5889          
2,3-dimethylanisole
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.5
      27.0       4.0
      38.0       1.3
      39.0       8.6
      40.0       1.0
      41.0       3.0
      50.0       2.2
      51.0       5.9
      52.0       2.6
      53.0       3.4
      62.0       1.1
      63.0       3.2
      65.0       6.5
      66.0       1.0
      67.0       1.2
      77.0      21.9
      78.0       7.1
      79.0       4.4
      89.0       1.1
      91.0      31.2
      92.0       3.5
      93.0       6.5
     103.0       6.4
     104.0       4.4
     105.0      14.5
     106.0       3.8
     107.0       3.2
     121.0      66.9
     122.0       8.9
     135.0       8.6
     136.0     100.0
     137.0      10.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
2,3-dimethylanisole

    Assign.     Shift(ppm)

      A             7.027
      B             6.751
      C             6.670
      D             3.757
      E             2.242
      F             2.133

     Hz     ppm     Int.

   2817.02   7.049     77
   2809.08   7.029    151
   2801.15   7.010     95
   2701.66   6.761    133
   2694.09   6.742    117
   2669.68   6.681    132
   2661.38   6.660    118
   1501.71   3.758   1000
    896.00   2.242    694
    888.67   2.224     29
    852.54   2.134    709

in CDCl3