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Molecular FormulaC12H24O3

Molecular Weight216.31716

InChIInChI=1S/C12H24O3/c1-4-7-8-11(5-2)12(13)15-10-9-14-6-3/h11H,4-10H2,1-3H3

InChIKey UFCOTERUPQVETE-UHFFFAOYSA-N

SmilesC(OCCOCC)(=O)C(CC)CCCC


  • Mass

    MS-IW-3515          
    2-ethoxyethyl 2-ethylhexanoate
    C12H24O3            (Mass of molecular ion:    216)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0       8.6
          28.0       3.1
          29.0      16.4
          31.0       8.1
          39.0       3.8
          41.0      18.4
          42.0       3.6
          43.0      25.3
          44.0      20.1
          45.0      25.5
          53.0       1.3
          55.0      16.3
          56.0       5.1
          57.0      90.1
          58.0       5.0
          59.0      13.1
          69.0       4.8
          70.0      11.0
          71.0       1.9
          72.0     100.0
          73.0      17.8
          74.0       1.0
          83.0       2.2
          87.0       1.4
          88.0       4.8
          89.0       7.3
          91.0       4.8
          97.0       2.1
          98.0       5.3
          99.0      31.2
         100.0       2.4
         101.0       1.9
         114.0       5.4
         115.0       2.2
         116.0       7.2
         127.0      27.7
         128.0       2.5
         129.0       2.8
         144.0       1.3
         145.0       3.2
         160.0       5.8
         171.0       3.8
         172.0       2.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H24 O3 0.05 ml : 0.5 ml CDCl3
    2-ethoxyethyl 2-ethylhexanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.249 B 3.629 C 3.528 D 2.311 E *1 1.64 F *2 1.60 G *1 1.53 J *2 1.46 K 1.30 L 1.26 M 1.205 N 0.899 P 0.885

         Hz     ppm     Int.
    

       1703.00   4.262    332
       1699.95   4.254    134
       1699.22   4.252    200
       1698.12   4.250    329
       1696.90   4.246    186
       1696.17   4.245    129
       1693.24   4.237    351
       1455.20   3.642    365
       1452.27   3.634    133
       1451.42   3.632    192
       1450.20   3.629    337
       1449.22   3.627    199
       1448.49   3.625    131
       1445.43   3.617    329
       1420.53   3.555    199
       1413.45   3.537    581
       1406.49   3.520    573
       1399.41   3.502    211
        938.11   2.348     30
        932.74   2.334     63
        929.32   2.326     64
        927.37   2.321     44
        923.95   2.312    122
        920.53   2.304     44
        918.58   2.299     70
        915.16   2.290     70
        909.79   2.277     36
        668.09   1.672     44
        666.63   1.669     33
        661.99   1.657     36
        660.64   1.654     59
        659.42   1.650     71
        657.59   1.646     43
        654.54   1.638     87
        653.20   1.635     77
        652.10   1.632     79
        650.15   1.627     51
        647.09   1.620     98
        645.87   1.617    109
        644.78   1.614     85
        638.43   1.598    101
        635.99   1.592     54
        630.98   1.579     35
        629.15   1.575     33
        620.36   1.553     69
        614.87   1.539     75
        612.92   1.534     76
        607.42   1.520     89
        605.59   1.516     38
        601.20   1.505     72
        599.37   1.500     58
        595.70   1.491     41
        593.63   1.486     85
        587.89   1.472     78
        586.55   1.468     51
        585.57   1.466     52
        582.03   1.457     32
        580.08   1.452     55
        573.49   1.435     33
        572.27   1.432     36
        536.99   1.344     35
        531.25   1.330     58
        528.32   1.322     54
        525.39   1.315     87
        521.00   1.304     93
        518.68   1.298    126
        516.36   1.293    107
        514.77   1.289    170
        512.21   1.282    163
        510.62   1.278    132
        508.79   1.274    151
        507.32   1.270    145
        503.17   1.260    115
        501.34   1.255    103
        498.78   1.249     60
        496.70   1.243     61
        494.87   1.239     69
        492.68   1.233     47
        488.77   1.223    602
        485.84   1.216     40
        481.81   1.206   1000
        474.73   1.188    575
        366.58   0.918    434
        360.47   0.902    379
        359.13   0.899    842
        356.57   0.893    161
        353.52   0.885    580
        351.68   0.880    460
        346.31   0.867    304
    

in CDCl3



liquid film



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