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123-86-4

乙酸丁酯(123-86-4)Raman光谱

产品名称:乙酸丁酯

CAS:123-86-4

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3

InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)C

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    Mass

    MS2014-05093CW      
    butyl acetate
    C6H12O2             (Mass of molecular ion:    116)
    

       Source Temperature: 250 °C
       Sample Temperature: 250 °C
       Reservoir, 70 eV
    

          15.0       2.2
          27.0       5.4
          28.0       9.7
          29.0       5.9
          31.0       1.2
          32.0       2.6
          39.0       4.7
          40.0       1.2
          41.0      16.6
          42.0       2.6
          43.0     100.0
          44.0       2.7
          55.0       9.3
          56.0      49.4
          57.0       4.9
          58.0       2.1
          61.0      17.8
          71.0       2.5
          73.0      25.4
          74.0       1.0
          86.0       1.7
          87.0       2.8
    

in CDCl3

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 O2 0.04 ml : 0.5 ml CDCl3
    butyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.062 B 2.038 C 1.60 D 1.39 E 0.943

         Hz     ppm     Int.
    

        370.63   4.139     69
        364.19   4.067    176
        357.69   3.994     94
        182.63   2.040   1000
        145.25   1.622     44
        143.00   1.597     33
        139.31   1.556     50
        138.75   1.550     50
        137.44   1.535     44
        133.44   1.490     54
        132.06   1.475     36
        127.56   1.425     37
        125.88   1.406     37
        122.13   1.364     36
        119.13   1.331     38
        112.69   1.259     32
         91.31   1.020     52
         90.44   1.010     90
         89.56   1.000     85
         83.81   0.936    214
         82.31   0.920     59
         77.69   0.868     30
         76.31   0.853     43
    

in CDCl3

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Liquid film

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4880 A,200 M,liquid

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