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Back ChemicalBook Home>CAS DataBase List>74082-06-7More Spectrum> isobutyl 2-ethylbutyrate(74082-06-7) 13C NMR

74082-06-7

isobutyl 2-ethylbutyrate(74082-06-7) 13C NMR

Molecular FormulaC10H20O2

Molecular Weight172.26

InChIInChI=1S/C10H20O2/c1-5-9(6-2)10(11)12-7-8(3)4/h8-9H,5-7H2,1-4H3

InChIKey SAWRJLRKAZYKPM-UHFFFAOYSA-N

SmilesC(OCC(C)C)(=O)C(CC)CC

  • isobutyl 2-ethylbutyrate(74082-06-7) <sup>13</sup>C NMR
    Mass

    MS-IW-3551          
    isobutyl 2-ethylbutyrate
    C10H20O2            (Mass of molecular ion:    172)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0      11.9
          28.0       2.4
          29.0      24.9
          31.0       1.2
          39.0      10.1
          40.0       1.8
          41.0      37.8
          42.0       6.5
          43.0      69.1
          44.0       2.4
          45.0       1.9
          53.0       1.7
          55.0      17.9
          56.0      64.8
          57.0      58.3
          58.0       2.6
          60.0       1.3
          69.0       2.9
          70.0       6.3
          71.0      97.7
          72.0       6.3
          73.0      10.1
          87.0      16.8
          88.0      32.4
          89.0       4.5
          99.0     100.0
         100.0       7.1
         101.0       3.9
         116.0       3.3
         117.0      67.1
         118.0       4.6
         129.0       2.2
         144.0       9.4
    

400 MHz in CDCl3

  • isobutyl 2-ethylbutyrate(74082-06-7) <sup>13</sup>C NMR

    1H NMR 399.65 MHz
    C10 H20 O2 0.05 ml : 0.5 ml CDCl3
    isobutyl 2-ethylbutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.873 B 2.214 C 1.939 D *1 1.630 E *1 1.526 F 0.944 G 0.900 J(B,D)=8.7HZ J(B,E)=5.5HZ J(D,E)=-13.7HZ J(D,G)=J(E,G)=7.4HZ

         Hz     ppm     Int.
    

       1551.15   3.882    506
       1544.56   3.865    511
        894.17   2.238     45
        890.99   2.230     46
        888.67   2.224     30
        885.50   2.216     91
        882.20   2.208     31
        880.00   2.202     53
        876.83   2.194     51
        788.94   1.975     44
        782.23   1.958     88
        775.51   1.941    110
        768.80   1.924     91
        762.21   1.908     49
        668.58   1.673     58
        662.35   1.658     44
        661.13   1.655     70
        659.91   1.652     60
        654.91   1.639    109
        653.81   1.636     70
        652.47   1.633     67
        647.46   1.621    114
        646.24   1.618    105
        640.01   1.602     49
        638.79   1.599     99
        631.47   1.581     37
        629.39   1.575     35
        623.90   1.562     36
        621.95   1.557     96
        616.46   1.543    101
        614.50   1.538    107
        608.89   1.524    118
        607.06   1.519     53
        602.78   1.509     57
        600.83   1.504     73
        595.34   1.490     54
        380.62   0.953   1000
        377.69   0.946     82
        376.83   0.943    119
        373.78   0.936    948
        370.12   0.927    106
        366.82   0.918    524
        359.50   0.900    843
        351.93   0.881    475
    

in CDCl3

  • isobutyl 2-ethylbutyrate(74082-06-7) <sup>13</sup>C NMR

liquid film

  • isobutyl 2-ethylbutyrate(74082-06-7) <sup>13</sup>C NMR

isobutyl 2-ethylbutyrate(74082-06-7) 13C NMR Atlas of Related Products

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