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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>94-08-6更多圖譜> 對甲基苯甲酸乙酯(94-08-6)Raman光譜

94-08-6

對甲基苯甲酸乙酯(94-08-6)Raman光譜

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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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