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Back ChemicalBook Home>CAS DataBase List>54396-97-3More Spectrum> ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) 13C NMR

54396-97-3

ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) 13C NMR

Molecular FormulaC8H16O3

Molecular Weight160.21

InChIInChI=1S/C8H16O3/c1-4-10-5-6-11-8(9)7(2)3/h7H,4-6H2,1-3H3

InChIKey ANSOCBLHUNAGRK-UHFFFAOYSA-N

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

  • ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) <sup>13</sup>C NMR
    Mass

    MS-NW-4311          
    2-ethoxyethyl isobutyrate
    C8H16O3             (Mass of molecular ion:    160)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.3
          18.0       2.0
          19.0       1.2
          26.0       1.5
          27.0      16.9
          28.0       5.3
          29.0      14.8
          31.0      29.9
          39.0       4.3
          40.0       1.0
          41.0      14.6
          42.0       4.3
          43.0     100.0
          44.0      29.4
          45.0      27.1
          55.0       1.5
          57.0       1.0
          59.0      42.2
          60.0       1.6
          70.0       2.5
          71.0      71.4
          72.0      66.7
          73.0       5.2
          86.0       4.6
          87.0       2.5
          88.0       2.0
          89.0       6.7
         101.0       1.0
         115.0       4.8
         116.0       6.6
    

90 MHz in CDCl3

  • ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C8 H16 O3 0.04 ml : 0.5 ml CDCl3
    2-ethoxyethyl isobutyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.216 B 3.63 C 3.54 D 2.572 E 1.191 F 1.180

         Hz     ppm     Int.
    

        383.13   4.278     84
        379.69   4.240     40
        379.00   4.232     74
        378.38   4.225    110
        376.75   4.207     66
        376.00   4.199     44
        373.25   4.168    139
        329.69   3.682    144
        327.00   3.652     80
        326.19   3.643     76
        324.75   3.627    115
        324.63   3.625    115
        323.94   3.618     83
        323.19   3.609     50
        320.19   3.576    300
        313.19   3.497    232
        306.38   3.421     68
        238.88   2.668     39
        232.13   2.592     49
        225.00   2.513     50
        115.25   1.287    222
        108.50   1.212   1000
        101.69   1.136    724
    

in CDCl3

  • ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) <sup>13</sup>C NMR

liquid film

  • ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) <sup>13</sup>C NMR

4880 A,200 M,liquid

  • ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) <sup>13</sup>C NMR

ISOBUTYRIC ACID 2-ETHOXYETHYL ESTER(54396-97-3) 13C NMR Atlas of Related Products

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