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Back ChemicalBook Home>CAS DataBase List>107-92-6More Spectrum> Butyric Acid(107-92-6) 13C NMR

Butyric Acid(107-92-6) 13C NMR

Product NameButyric Acid

CAS107-92-6

Molecular FormulaC4H8O2

Molecular Weight88.11

InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey FERIUCNNQQJTOY-UHFFFAOYSA-N

SmilesC(O)(=O)CCC


  • Mass

    MS-IW-0362          
    butyric acid
    C4H8O2              (Mass of molecular ion:     88)
    

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

          26.0       1.5
          27.0      13.6
          28.0       4.1
          29.0       8.1
          38.0       1.1
          39.0       6.6
          40.0       1.2
          41.0      16.3
          42.0      14.0
          43.0      14.1
          45.0       9.9
          55.0       6.7
          60.0     100.0
          61.0       2.7
          69.0       1.3
          70.0       1.5
          71.0       2.9
          73.0      32.5
          74.0       1.2
          87.0       1.9
          88.0       2.6
          89.0       1.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C4 H8 O2 10.4 mol% in CDCl3
    butyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 0.983 B 1.675 C 2.334 D 11.51

         Hz     ppm     Int.
    

       1030.50  11.507   1000
        217.38   2.428    203
        216.38   2.417    222
        209.88   2.344    367
        209.38   2.338    455
        202.75   2.264    331
        202.00   2.256    349
        168.00   1.876     49
        161.50   1.804     86
        160.50   1.793    127
        159.38   1.780     40
        154.50   1.726    106
        153.63   1.716    254
        152.63   1.705    146
        146.63   1.638    183
        145.88   1.629    175
        145.38   1.624    218
        140.00   1.564     60
        138.75   1.550    151
        131.75   1.472     47
         95.00   1.061    263
         94.25   1.053    489
         87.38   0.976    966
         86.75   0.969    544
         80.50   0.899    171
         79.75   0.891    300
         78.75   0.880    157
    

in CDCl3



liquid film





Butyric Acid(107-92-6) 13C NMR Atlas of Related Products

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