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637-78-5

丙酸异丙酯(637-78-5)红外图谱(IR2)

产品名称:丙酸异丙酯

CAS:637-78-5

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3

InChIKey: IJMWOMHMDSDKGK-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0764          
    isopropyl propionate
    C6H12O2             (Mass of molecular ion:    116)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.7
          26.0       1.5
          27.0      10.7
          28.0       2.8
          29.0      21.8
          31.0       1.0
          39.0       3.8
          41.0      12.1
          42.0       4.5
          43.0      46.2
          44.0       1.5
          45.0       4.4
          57.0     100.0
          58.0       3.4
          59.0      11.7
          73.0       1.2
          74.0       5.5
          75.0      34.3
          76.0       1.1
         101.0      11.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 O2 0.04 ml : 0.5 ml CDCl3
    isopropyl propionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.999 B 2.275 C 1.229 D 1.123

         Hz     ppm     Int.
    

        454.50   5.075     51
        448.25   5.006     69
        442.00   4.936     54
        216.56   2.419     30
        215.69   2.409     35
        208.38   2.327    126
        201.63   2.252     73
        200.75   2.242    161
        193.88   2.165     50
        193.13   2.157     50
        113.19   1.264   1000
        111.00   1.240     46
        108.25   1.209    165
        106.94   1.195    982
        104.94   1.172     50
        100.94   1.128    386
        100.44   1.122    232
         99.44   1.111     88
         93.13   1.040    168
         92.56   1.034     76
    

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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