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Back ChemicalBook Home>CAS DataBase List>628-63-7More Spectrum> Amyl acetate(628-63-7) IR1

Amyl acetate(628-63-7) IR1

Product NameAmyl acetate

CAS628-63-7

Molecular FormulaC7H14O2

Molecular Weight130.18

InChIInChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

InChIKey PGMYKACGEOXYJE-UHFFFAOYSA-N

SmilesC(OCCCCC)(=O)C


  • Mass

    MS-NW-0059          
    pentyl acetate
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 230 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          15.0       3.8
          18.0       1.7
          27.0       9.6
          28.0       3.1
          29.0      14.3
          31.0       9.3
          39.0       6.8
          40.0       1.1
          41.0      23.2
          42.0      43.1
          43.0     100.0
          44.0       3.1
          45.0       1.8
          55.0      35.5
          56.0       5.0
          57.0       6.0
          58.0       3.8
          61.0      24.7
          69.0       8.4
          70.0      53.8
          71.0       3.6
          73.0      13.5
          87.0       1.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H14 O2 0.04 ml : 0.5 ml CDCl3
    pentyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.049 B 2.040 C 1.63 D 1.52 to 1.14 E 0.91

         Hz     ppm     Int.
    

        369.88   4.130     70
        363.31   4.057    181
        356.75   3.984    104
        182.75   2.041   1000
        146.38   1.635     41
        145.56   1.626     42
        139.88   1.562     39
        138.63   1.548     30
        127.56   1.425     30
        124.88   1.395     99
        122.00   1.363     83
        120.88   1.350     63
        119.69   1.337     68
        117.94   1.317     81
        116.94   1.306     69
        114.38   1.278     48
        110.75   1.237     41
         87.63   0.979     54
         87.00   0.972     56
         81.38   0.909    177
         75.38   0.842     42
    

in CDCl3



liquid film



4880 A,200 M,liquid



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