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540-42-1

丙酸异丁酯(540-42-1)Raman光谱

产品名称:丙酸异丁酯

CAS:540-42-1

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-4-7(8)9-5-6(2)3/h6H,4-5H2,1-3H3

InChIKey: FZXRXKLUIMKDEL-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0898          
    isobutyl propionate
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.0
          27.0       7.6
          28.0       3.0
          29.0      28.1
          31.0       2.0
          39.0       4.0
          41.0      12.2
          42.0       1.2
          43.0       3.8
          55.0       2.2
          56.0      27.8
          57.0     100.0
          58.0       3.5
          71.0       2.9
          73.0       2.4
          74.0       1.4
          75.0       7.0
          87.0       8.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H14 O2 10.5 mol% in CDCl3
    isobutyl propionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 0.937 B 1.151 C 1.91 D 2.327 E 3.860

         Hz     ppm     Int.
    

        349.13   3.899    389
        342.50   3.825    421
        221.00   2.468     44
        220.25   2.460     47
        212.94   2.378    196
        205.31   2.293    228
        198.38   2.216     71
        197.69   2.208     71
        179.69   2.007     45
        172.88   1.931     57
        166.25   1.857     53
        159.63   1.783     33
        110.13   1.230    285
        102.81   1.148    668
        102.31   1.143    399
         95.00   1.061    210
         94.44   1.055    118
         86.88   0.971   1000
         83.25   0.930     41
         80.31   0.897    785
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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