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乙酸-1-乙基-3-甲基戊酯

产品名称 乙酸-1-乙基-3-甲基戊酯

CAS号375855-08-6

分子式C10H20O2

分子量172.26


  • Mass

    MS-IW-8989          
    1-ethyl-3-methylpentyl acetate
    C10H20O2            (Mass of molecular ion:    172)
    

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

          27.0       3.2
          28.0       1.0
          29.0       7.2
          39.0       2.7
          41.0      11.4
          42.0       3.3
          43.0     100.0
          44.0       2.4
          45.0       1.3
          53.0       1.0
          55.0      22.2
          56.0      13.9
          57.0      11.2
          58.0       3.1
          59.0       3.1
          61.0       3.1
          69.0       2.7
          70.0       9.2
          71.0       3.6
          72.0       1.0
          73.0       2.1
          82.0       1.1
          83.0      33.6
          84.0       4.7
          87.0       1.0
          97.0       1.5
         101.0      13.0
         112.0       8.0
         113.0       1.3
         116.0       1.0
         143.0       4.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H20 O2 0.02 ml : 0.5 ml CDCl3
    1-ethyl-3-methylpentyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.929 B 2.041 C *1 1.55 D *1 1.42 E 1.30 E 1.19 E 1.13 F 0.881 G 0.87 G 0.86 mixture of diastereomers. assigned by C-H COSY.

         Hz     ppm     Int.
    

       1976.81   4.947     36
       1973.27   4.938     31
       1970.83   4.932     48
       1967.16   4.923     35
       1965.58   4.919     33
       1965.21   4.918     33
        816.28   2.043   1000
        814.94   2.040    898
        634.77   1.589     56
        634.16   1.587     52
        628.78   1.574     51
        627.20   1.570    103
        621.34   1.555     62
        619.63   1.551    103
        613.65   1.536     63
        613.16   1.535     64
        610.60   1.528     51
        573.61   1.436     49
        568.12   1.422     71
        566.65   1.418     52
        560.79   1.404     58
        359.62   0.900    381
        356.08   0.891    237
        353.52   0.885    413
        352.29   0.882    750
        348.63   0.873    425
        347.17   0.869    380
        344.73   0.863    328
        340.58   0.853    281
        333.25   0.834    117
    

in CDCl3



liquid film