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554-12-1

丙酸甲酯(554-12-1)红外图谱(IR1)

产品名称:丙酸甲酯

CAS:554-12-1

分子式:C4H8O2

分子量: 88.11

InChI:InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3

InChIKey: RJUFJBKOKNCXHH-UHFFFAOYSA-N

Smiles:C(OC)(=O)CC

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    Mass

    MS-NW-0691          
    methyl propionate
    C4H8O2              (Mass of molecular ion:     88)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0      17.7
          26.0       5.2
          27.0      19.8
          28.0       9.8
          29.0      76.6
          30.0       1.9
          31.0       5.3
          33.0       1.0
          41.0       1.4
          42.0       1.8
          43.0       1.8
          45.0       2.8
          55.0       4.1
          56.0       3.4
          57.0     100.0
          58.0       3.8
          59.0      31.6
          60.0       1.2
          87.0       2.5
          88.0      31.7
          89.0       1.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H8 O2 0.04 ml : 0.5 ml CDCl3
    methyl propionate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.674 B 2.324 C 1.148

         Hz     ppm     Int.
    

        329.00   3.674   1000
        221.00   2.468     30
        220.38   2.461     33
        212.88   2.377    136
        205.31   2.293    157
        197.75   2.209     51
        109.81   1.227    201
        102.56   1.146    471
        102.06   1.140    293
         94.75   1.058    147
         94.19   1.052     84
    

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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