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Back ChemicalBook Home>CAS DataBase List>620-14-4More Spectrum> 3-ETHYLTOLUENE(620-14-4) Raman

620-14-4

3-ETHYLTOLUENE(620-14-4) Raman

Product Name3-ETHYLTOLUENE

CAS620-14-4

Molecular FormulaC9H12

Molecular Weight120.19

InChIInChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3

InChIKey ZLCSFXXPPANWQY-UHFFFAOYSA-N

SmilesC1(CC)=CC=CC(C)=C1

  • 3-ETHYLTOLUENE(620-14-4) Raman
    Mass

    MS-NW-0137          
    m-ethyltoluene
    C9H12               (Mass of molecular ion:    120)
    

       Source Temperature: 230 °C
       Sample Temperature:  75 °C
       Reservoir, 75 eV
    

          27.0       3.3
          28.0       1.9
          39.0       6.3
          41.0       2.3
          50.0       1.7
          51.0       4.9
          52.0       1.6
          53.0       1.9
          57.5       1.1
          58.0       1.6
          59.0       2.0
          62.0       1.0
          63.0       3.4
          65.0       5.2
          77.0      10.6
          78.0       3.6
          79.0       7.6
          89.0       1.6
          91.0      11.1
          92.0       3.9
         102.0       1.1
         103.0       5.9
         104.0       2.6
         105.0     100.0
         106.0       9.2
         115.0       2.3
         117.0       2.3
         119.0       3.8
         120.0      32.4
         121.0       3.2
    

400 MHz in CDCl3

  • 3-ETHYLTOLUENE(620-14-4) Raman

    1H NMR 399.65 MHz
    C9 H12 23.3 mg : 0.5 ml CDCl3
    m-ethyltoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.173 B 7.01 C *1 7.00 D *1 6.99 E 2.609 F 2.329 G 1.225 CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

       2874.76   7.194     62
       2867.19   7.175    136
       2859.86   7.156     84
       2804.93   7.019    140
       2804.32   7.017    145
       2803.96   7.017    143
       2803.34   7.015    145
       2802.49   7.013    137
       2801.76   7.011    136
       2801.15   7.010    123
       2800.54   7.008    103
       2799.80   7.006    103
       2799.32   7.005    112
       2798.71   7.003    109
       2796.02   6.997     58
       2795.41   6.995     63
       2794.80   6.994     74
       2794.19   6.992     85
       2793.58   6.991     88
       2792.97   6.989     87
       2792.36   6.988     91
       2791.75   6.986     93
       2790.41   6.983     77
       1054.32   2.639     69
       1046.75   2.620    202
       1039.18   2.601    207
       1031.49   2.581     75
        930.79   2.330    736
        497.07   1.244    493
        489.50   1.225   1000
        487.06   1.219     40
        481.81   1.206    478
    

in CDCl3

  • 3-ETHYLTOLUENE(620-14-4) Raman

liquid film

  • 3-ETHYLTOLUENE(620-14-4) Raman

  • 3-ETHYLTOLUENE(620-14-4) Raman

3-ETHYLTOLUENE(620-14-4) Raman Atlas of Related Products

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