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Back ChemicalBook Home>CAS DataBase List>499-06-9More Spectrum> 3,5-Dimethylbenzoic acid(499-06-9) 1H NMR

499-06-9

3,5-Dimethylbenzoic acid(499-06-9) 1H NMR

Molecular FormulaC9H10O2

Molecular Weight150.17

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

InChIKey UMVOQQDNEYOJOK-UHFFFAOYSA-N

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

  • 3,5-Dimethylbenzoic acid(499-06-9) <sup>1</sup>H NMR
    Mass

    MS-NW-2320          
    3,5-dimethylbenzoic acid
    C9H10O2             (Mass of molecular ion:    150)
    

       Source Temperature: 300 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          14.0       2.2
          18.0       4.8
          27.0       6.3
          28.0       7.2
          38.0       2.0
          39.0      11.8
          40.0       1.3
          41.0       2.1
          43.0       1.7
          45.0       2.1
          50.0       3.9
          51.0      11.0
          52.0       3.1
          53.0       4.5
          62.0       2.8
          63.0       6.7
          64.0       1.6
          65.0       5.3
          66.0       2.1
          74.0       2.3
          75.0       1.6
          76.0       1.2
          77.0      23.1
          78.0       8.0
          79.0      14.5
          80.0       1.1
          89.0       2.3
          91.0      34.4
          92.0       2.8
         102.0       1.7
         103.0      11.5
         104.0      11.5
         105.0      99.9
         106.0      12.0
         107.0       2.8
         121.0       1.4
         132.0       5.3
         133.0      36.0
         134.0       3.8
         135.0      10.0
         136.0       1.0
         149.0       7.0
         150.0     100.0
         151.0      10.0
    

90 MHz in CDCl3

  • 3,5-Dimethylbenzoic acid(499-06-9) <sup>1</sup>H NMR

    1H NMR 89.56 MHz
    C9 H10 O2 0.045 g : 0.5 ml CDCl3
    3,5-dimethylbenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.61 B 7.73 C 7.22 D 2.37

         Hz     ppm     Int.
    

       1129.30  12.610     24
        693.33   7.742    169
        692.65   7.734    181
        692.22   7.730    188
        691.63   7.723    193
        647.45   7.230     81
        646.77   7.222     92
        646.08   7.214     79
        212.17   2.370    970
        211.57   2.363   1000
    

in CDCl3

  • 3,5-Dimethylbenzoic acid(499-06-9) <sup>1</sup>H NMR

CCl4 solution

  • 3,5-Dimethylbenzoic acid(499-06-9) <sup>1</sup>H NMR

KBr disc

  • 3,5-Dimethylbenzoic acid(499-06-9) <sup>1</sup>H NMR

nujol mull

  • 3,5-Dimethylbenzoic acid(499-06-9) <sup>1</sup>H NMR

  • 3,5-Dimethylbenzoic acid(499-06-9) <sup>1</sup>H NMR

3,5-Dimethylbenzoic acid(499-06-9) 1H NMR Atlas of Related Products

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