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94-08-6

对甲基苯甲酸乙酯(94-08-6)Raman光谱

分子式:C10H12O2

分子量: 164.2

InChI:InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey: NWPWRAWAUYIELB-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=C(C)C=C1

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    Mass

    MS-NW-3776          
    ethyl p-toluate
    C10H12O2            (Mass of molecular ion:    164)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       3.1
          29.0       3.2
          39.0       5.1
          41.0       1.6
          50.0       1.4
          51.0       2.4
          62.0       1.2
          63.0       3.8
          64.0       1.1
          65.0      12.4
          77.0       1.1
          89.0       3.6
          90.0       2.6
          91.0      33.9
          92.0       3.9
         105.0       1.1
         119.0     100.0
         120.0      11.1
         136.0      24.9
         137.0       2.4
         149.0       2.8
         163.0       1.0
         164.0      21.5
         165.0       2.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C10 H12 O2 0.04 ml : 0.5 ml CDCl3
    ethyl p-toluate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.92 B 7.22 C 4.350 D 2.39 E 1.378

         Hz     ppm     Int.
    

        716.13   7.997     30
        714.38   7.977    243
        712.69   7.958     89
        707.88   7.904     88
        706.13   7.885    321
        704.38   7.865     59
        652.25   7.283     33
        650.50   7.264    211
        649.81   7.256    267
        648.50   7.241    105
        647.81   7.234     76
        643.88   7.190     54
        643.19   7.182     79
        642.56   7.175    136
        641.94   7.168    206
        641.25   7.161    176
        639.50   7.141     32
        400.56   4.473    127
        393.44   4.394    468
        386.31   4.314    494
        379.19   4.234    148
        214.00   2.390    848
        130.25   1.455    485
        123.25   1.377   1000
        116.06   1.296    427
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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