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Back ChemicalBook Home>CAS DataBase List>79-31-2More Spectrum> Isobutyric acid(79-31-2) 13C NMR

79-31-2

Isobutyric acid(79-31-2) 13C NMR

Product NameIsobutyric acid

CAS79-31-2

Molecular FormulaC4H8O2

Molecular Weight88.11

InChIInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)

InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-N

SmilesC(O)(=O)C(C)C

  • Isobutyric acid(79-31-2) <sup>13</sup>C NMR
    Mass

    MS-NW-2559          
    isobutyric acid
    C4H8O2              (Mass of molecular ion:     88)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       1.5
          26.0       2.1
          27.0      24.5
          28.0       2.1
          29.0       5.1
          38.0       1.4
          39.0       9.2
          40.0       1.6
          41.0      39.2
          42.0       9.9
          43.0     100.0
          44.0       3.6
          45.0       7.7
          55.0       3.9
          60.0       1.6
          71.0       2.0
          73.0      25.9
          88.0       8.0
    

90 MHz in CDCl3

  • Isobutyric acid(79-31-2) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C4 H8 O2 0.05 ml : 0.5 ml CDCl3
    isobutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.88 B 2.58 C 1.204

         Hz     ppm     Int.
    

       1064.10  11.882    101
        246.01   2.747     24
        239.51   2.675     40
        238.83   2.667     54
        232.08   2.592     74
        225.67   2.520     48
        224.90   2.512     67
        218.07   2.435     37
        111.00   1.240   1000
        108.86   1.216     44
        106.56   1.190     28
        104.08   1.163    865
    

in CDCl3

  • Isobutyric acid(79-31-2) <sup>13</sup>C NMR

liquid film

  • Isobutyric acid(79-31-2) <sup>13</sup>C NMR

  • Isobutyric acid(79-31-2) <sup>13</sup>C NMR

Isobutyric acid(79-31-2) 13C NMR Atlas of Related Products

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