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正丁酸乙烯酯(123-20-6)红外图谱(IR1)

产品名称:正丁酸乙烯酯

CAS:123-20-6

分子式:C6H10O2

分子量: 114.14

InChI:InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h4H,2-3,5H2,1H3

InChIKey: MEGHWIAOTJPCHQ-UHFFFAOYSA-N

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


  • Mass

    MS-NW-1319          
    vinyl butyrate
    C6H10O2             (Mass of molecular ion:    114)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.1
          15.0       4.7
          26.0       2.3
          27.0      25.7
          28.0       1.6
          29.0       4.2
          39.0       7.0
          40.0       1.1
          41.0      28.9
          42.0       5.3
          43.0     100.0
          44.0       6.4
          45.0       1.1
          55.0       4.2
          57.0      17.8
          60.0       2.0
          69.0       1.1
          70.0       1.0
          71.0      64.3
          72.0       2.8
          73.0       1.0
          99.0       2.2
         114.0       2.1
         127.0       2.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H10 O2 0.04 ml : 0.5 ml CDCl3
    vinyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.291 B 4.875 C 4.559 D 2.369 E 1.69 F 0.98

         Hz     ppm     Int.
    

        663.50   7.409    288
        657.19   7.338    312
        649.56   7.253    324
        643.19   7.182    328
        444.00   4.958    329
        442.44   4.941    355
        430.00   4.802    286
        428.44   4.784    317
        412.13   4.602    347
        410.56   4.585    337
        405.75   4.531    346
        404.25   4.514    303
        220.63   2.464    205
        219.63   2.453    205
        213.06   2.379    359
        212.56   2.374    432
        205.94   2.300    330
        205.19   2.292    322
        163.63   1.828     86
        162.75   1.818    122
        155.75   1.740    259
        154.75   1.728    145
        148.69   1.661    183
        148.00   1.653    177
        147.56   1.648    222
        140.81   1.573    152
         95.00   1.061    275
         94.31   1.054    479
         87.44   0.977   1000
         86.81   0.970    520
         80.56   0.900    196
         79.75   0.891    306
         78.88   0.881    153
    

in CDCl3



CCl4 solution



liquid film



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