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Back ChemicalBook Home>CAS DataBase List>105-66-8More Spectrum> Propyl butyrate(105-66-8) MS

Propyl butyrate(105-66-8) MS

Product NamePropyl butyrate

CAS105-66-8

Molecular FormulaC7H14O2

Molecular Weight130.18

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

InChIKey HUAZGNHGCJGYNP-UHFFFAOYSA-N

SmilesC(OCCC)(=O)CCC


  • Mass

    MS-NW-0770          
    propyl butyrate
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.4
          26.0       1.4
          27.0      21.6
          28.0       3.5
          29.0       9.7
          31.0       3.4
          39.0      11.0
          40.0       2.0
          41.0      36.2
          42.0      19.9
          43.0     100.0
          44.0       3.3
          45.0       1.2
          55.0       8.9
          56.0      18.7
          57.0      15.5
          59.0       5.5
          60.0      13.4
          61.0       8.7
          69.0       4.3
          70.0      10.1
          71.0      93.5
          72.0       3.9
          73.0       8.8
          83.0       4.9
          84.0       3.3
          85.0       4.4
          88.0       4.3
          89.0      59.7
          90.0       2.7
          91.0       3.4
          92.0       2.4
          98.0       2.4
         100.0       3.3
         101.0       5.2
         102.0       4.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H14 O2 0.04 ml : 0.5 ml CDCl3
    propyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.031 B 2.278 C 1.65 D 0.95

         Hz     ppm     Int.
    

        367.81   4.107    262
        361.19   4.033    549
        354.56   3.959    289
        212.63   2.375    107
        211.69   2.364    114
        204.63   2.285    244
        198.00   2.211    200
        197.25   2.203    202
        159.94   1.786     90
        159.38   1.780    110
        159.00   1.776    115
        158.25   1.767    115
        153.44   1.714    106
        152.38   1.702    238
        151.88   1.696    231
        151.38   1.691    221
        145.38   1.624    222
        144.13   1.610    322
        137.50   1.536    225
         92.13   1.029    477
         91.38   1.021    505
         85.25   0.952    740
         84.44   0.943   1000
         83.81   0.936    467
         78.44   0.876    131
         77.56   0.867    298
         76.63   0.856    290
         75.69   0.846    129
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



Propyl butyrate(105-66-8) MS Atlas of Related Products

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