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Back ChemicalBook Home>CAS DataBase List>123-92-2More Spectrum> Isoamyl acetate(123-92-2) MS

Isoamyl acetate(123-92-2) MS

Product NameIsoamyl acetate

CAS123-92-2

Molecular FormulaC7H14O2

Molecular Weight130.18

InChIInChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3

InChIKey MLFHJEHSLIIPHL-UHFFFAOYSA-N

SmilesC(OC(=O)C)CC(C)C


  • Mass

    MS-NW-0039          
    isopentyl acetate
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 220 °C
       Sample Temperature:  25 °C
       Reservoir, 75 eV
    

          15.0       3.8
          27.0       6.6
          28.0       2.1
          29.0       6.8
          31.0       1.3
          39.0       5.9
          41.0      13.8
          42.0      13.4
          43.0     100.0
          44.0       2.6
          45.0       2.2
          53.0       1.2
          54.0       1.1
          55.0      43.5
          56.0       4.2
          57.0       4.6
          58.0       2.2
          61.0      12.8
          69.0       6.1
          70.0      63.4
          71.0       4.2
          72.0       1.9
          73.0      13.9
          74.0       2.5
          85.0       1.5
          87.0      10.1
          88.0       1.8
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H14 O2 0.05 ml : 0.5 ml CDCl3
    isopentyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.095 B 2.037 C 1.693 D 1.521 E 0.926

         Hz     ppm     Int.
    

       1643.68   4.113    243
       1636.72   4.096    429
       1629.76   4.078    243
        819.34   2.051     47
        814.21   2.038    990
        690.92   1.729     39
        684.08   1.712     75
        677.37   1.695     96
        670.53   1.678     83
        663.94   1.662     49
        618.29   1.548    153
        611.45   1.530    379
        604.49   1.513    334
        597.66   1.496    120
        373.66   0.935   1000
        366.82   0.918    964
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



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