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632-46-2

2,6-二甲基苯甲酸(632-46-2)核磁图(13CNMR)

产品名称:2,6-二甲基苯甲酸

CAS:632-46-2

分子式:C9H10O2

分子量: 150.17

InChI:InChI=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

Smiles:C(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

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

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KBr disc

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nujol mull

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