2,6-Dimethylbenzoic acid(632-46-2) ¹³C NMR

Product Name2,6-Dimethylbenzoic acid

CAS 632-46-2

Molecular FormulaC9H10O2

Molecular Weight150.17

InChIInChI=1S/C9H10O2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)

InChIKey HCBHQDKBSKYGCK-UHFFFAOYSA-N

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

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Mass

MS-NW-6510          
2,6-dimethylbenzoic acid
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.7
      27.0       6.2
      38.0       2.4
      39.0      11.9
      40.0       1.2
      41.0       2.2
      43.0       2.1
      44.0       1.4
      45.0       1.7
      50.0       4.9
      51.0      15.0
      51.5       1.2
      52.0       4.4
      53.0       4.5
      61.0       1.3
      62.0       3.1
      63.0       7.0
      64.0       1.7
      65.0       5.8
      65.5       1.1
      66.0       4.5
      74.0       2.4
      75.0       2.3
      76.0       1.9
      77.0      23.2
      78.0      16.1
      79.0      12.2
      89.0       2.4
      90.0       1.2
      91.0      13.1
      92.0       1.3
     102.0       2.7
     103.0      18.3
     104.0      52.3
     105.0      41.1
     106.0       4.8
     107.0       1.1
     119.0       1.3
     132.0     100.0
     133.0      25.2
     134.0       2.4
     135.0       3.8
     149.0       2.8
     150.0      80.0
     151.0       8.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.039 g : 0.5 ml CDCl₃
2,6-dimethylbenzoic acid

    Assign.     Shift(ppm)

      A            11.90
      B             7.217
      C             7.07
      D             2.446

     Hz     ppm     Int.

   1065.55  11.898     40
    650.18   7.260     36
    646.25   7.216     46
    640.95   7.157    136
    635.31   7.094    159
    634.80   7.088    157
    630.10   7.036     31
    629.42   7.028     41
    628.65   7.020     33
    626.17   6.992     31
    221.48   2.473     23
    219.18   2.448   1000

in CDCl3