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Back ChemicalBook Home>CAS DataBase List>99-75-2More Spectrum> Methyl 4-methylbenzoate(99-75-2) IR3

Methyl 4-methylbenzoate(99-75-2) IR3

Molecular FormulaC9H10O2

Molecular Weight150.17

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

InChIKey QSSJZLPUHJDYKF-UHFFFAOYSA-N

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


  • Mass

    MS-NW-0688          
    methyl p-toluate
    C9H10O2             (Mass of molecular ion:    150)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.6
          28.0       2.9
          39.0       6.3
          41.0       1.8
          50.0       2.2
          51.0       3.0
          62.0       1.9
          63.0       4.9
          64.0       1.3
          65.0      12.7
          74.0       1.0
          89.0       4.4
          90.0       3.0
          91.0      39.9
          92.0       3.3
         105.0       1.2
         119.0     100.0
         120.0       9.3
         149.0       1.5
         150.0      33.6
         151.0       3.4
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C9 H10 O2 0.054 g : 0.5 ml CDCl3
    methyl p-toluate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.92 B 7.23 C 3.886 D 2.394

         Hz     ppm     Int.
    

        714.13   7.974     88
        713.81   7.971     89
        712.19   7.953     30
        707.63   7.902     31
        705.63   7.879    119
        650.94   7.269     88
        650.31   7.262     95
        649.69   7.255     86
        649.06   7.248     33
        648.25   7.239     23
        644.38   7.195     22
        643.69   7.188     34
        643.00   7.180     57
        642.38   7.173     78
        641.69   7.165     59
        348.06   3.887   1000
        214.19   2.392    319
    

in CDCl3



CCl4 solution



KBr disc



liquid film



4880 A,200 M,liquid



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